Dictionary Index mmcif_pdbx.dic
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General 
- Dictionary title
- PDB Exchange Dictionary (PDBx/mmCIF) V4.0 supporting the data files in the current PDB archive
- Dictionary description
- A prior version of the PDB Exchange Data dictionary frozen at version 4.073
- Original developers
- wwPDB
- Dictionary maintainers
- wwPDB
- Dictionary name
- mmcif_pdbx.dic
- Dictionary version
- 4.073
- Last update
- 2017-04-18
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Dictionary Revision History
| Version | Revision Date | Revision Description | |
|---|---|---|---|
| 4.073 | 2017-04-18 | Changes (ep): + Add WWPDB_LOCAL context for entry.pdbx_DOI |
mmcif_pdbx.dic |
| 4.072 | 2017-04-06 | Changes (ep): + Update archive enumerations for pdbx_nmr_exptl_sample.concentration_units to match deposition enumeration + Extend enumeration for _pdbx_nmr_constraint_file.constraint_subtype ('PRE', 'PRE solvent', 'CSP') |
mmcif_pdbx.dic |
| 4.071 | 2016-03-09 | Changes (ep): + Add category group assignments for pdbx_unobs_or_zero_occ_residues, pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue + Update context values to WWPDB_LOCAL for pdbx_remediation_atom_site_mapping |
mmcif_pdbx.dic |
| 4.070 | 2016-01-19 | Changes (ep/M. Hekkelman): + Correct inconsistent mandatory setting for _atom_site.label_alt_id, _atom_site.label_comp_id, _atom_site.label_atom_id, _diffrn_refln.wavelength_id, _atom_site.label_entity_id, _atom_site.label_seq_id, _refln.wavelength_id, _atom_site.label_asym_id, _struct_conn.ptnr1_label_atom_id, _struct_conn.ptnr2_label_atom_id, _struct_mon_prot_cis.label_alt_id, _struct_site_gen.label_alt_id + Add optional pdbx_nmr_refine.software_ordinal + Add adamantane to _pdbx_nmr_chem_shift_ref.mol_common_name enumeration |
mmcif_pdbx.dic |
| 4.069 | 2016-12-19 | Changes (ep): + Add audit_author.identifier_ORCID + Item context added for audit_author.address |
mmcif_pdbx.dic |
| 4.068 | 2016-09-28 | Changes (ep): + Add range limits for reflns.pdbx_CC_half and reflns_shell.pdbx_CC_half + Add pdbx_deposit_group.group_title and pdbx_deposit_group.group_description |
mmcif_pdbx.dic |
| 4.067 | 2016-09-19 | Changes (ep): + Extend enumeration for pdbx_nmr_chem_shift_ref.mol_common_name to include 'methionine' and 'deuterium oxide' |
mmcif_pdbx.dic |
| 4.066 | 2016-07-05 | Changes (ep): + Change description of reflns.pdbx_CC_half and reflns_shell.pdbx_CC_half to refer to a decimal value. + Include deposit-group-extension with export of _pdbx_deposit_group.group_id + Update enumerations for _pdbx_nmr_chem_shift_ref.atom_group and _pdbx_nmr_exptl_sample_conditions.pH_units + _pdbx_item_linked_group and _pdbx_item_linked_group_list updates for pdbx_chem_comp_model_*, pdbx_struct_special_symmetry and pdbx_deposit_group_index |
mmcif_pdbx.dic |
| 4.065 | 2016-05-24 | Changes (ep): + Add 'dipolar recoupling' and 'spin diffusion' to _pdbx_nmr_constraint_file.constraint_subtype + Update examples for: _pdbx_struct_special_symmetry _pdbx_reference_publication_list _pdbx_nmr_chem_shift_ref _pdbx_nmr_chem_shift_reference _pdbx_reference_entity_poly_link |
mmcif_pdbx.dic |
| 4.064 | 2016-05-03 | Changes (ep): + CAPRI added to _pdbx_database_status.methods_development_category + Correct pdbx_nmr_chem_shift_ref.mol_common_name enumeration + Add RDC to pdbx_nmr_constraint_file.constraint_subtype enumeration |
mmcif_pdbx.dic |
| 4.063 | 2016-03-03 | Changes (cl): + enumeration update for item _em_vitrification.cryogen_name |
mmcif_pdbx.dic |
| 4.062 | 2016-02-09 | Changes (cl): + enumeration update for item _em_imaging.specimen_holder_model |
mmcif_pdbx.dic |
| 4.061 | 2016-02-03 | Changes (jy): + enumeration update for item _pdbx_database_status.methods_development_category |
mmcif_pdbx.dic |
| 4.060 | 2016-01-26 | Changes (cl): + Update enumerations for item _em_entity_assembly.type + Change enumerations to examples for item _em_sample_support.grid_type |
mmcif_pdbx.dic |
| 4.059 | 2015-12-03 | Changes (jdw): + Category context changed for pdbx_nmr_spectral_peak_list |
mmcif_pdbx.dic |
| 4.058 | 2015-10-01 | Changes (jdw): + _pdbx_nmr_systematic_chem_shift_offset.ordinal replaces the natural category key for this category. |
mmcif_pdbx.dic |
| 4.057 | 2015-07-21 | Changes (jdw): + Correct example and item name in category pdbx_chem_comp_model_bond. |
mmcif_pdbx.dic |
| 4.056 | 2015-07-17 | Changes (jdw): + Add chemical component modeling extension categories: pdbx_chem_comp_model_atom, pdbx_chem_comp_model_bond, pdbx_chem_comp_model_feature, pdbx_chem_comp_model_descriptor, pdbx_chem_comp_model_audit, and pdbx_chem_comp_model_reference. |
mmcif_pdbx.dic |
| 4.055 | 2015-06-19 | Changes (jdw): + Enumeration updates for items _pdbx_database_related.content_type and _pdbx_database_status.status_code. + Update examples for _pdbx_database_related.db_name. |
mmcif_pdbx.dic |
| 4.054 | 2015-05-06 | Changes (jdw): + extend data types for _pdbx_nmr_systematic_chem_shift_offset.atom_type +_pdbx_nmr_systematic_chem_shift_offset.val/atom_type made optional |
mmcif_pdbx.dic |
| 4.053 | 2015-04-30 | Changes (jdw): + update enumerations in category pdbx_SG_project |
mmcif_pdbx.dic |
| 4.052 | 2015-02-28 | Changes (jdw): + removed _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero having resolved issues with schema translation and validation issues. |
mmcif_pdbx.dic |
| 4.051 | 2015-02-16 | Changes (jdw): + removed _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero. + restored the above relationship _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero to avoid schema validation issue. |
mmcif_pdbx.dic |
| 4.050 | 2014-11-20 | Changes (jdw): + Update enumeration for item database_2.database_id |
mmcif_pdbx.dic |
| 4.049 | 2014-11-07 | Changes (jdw): + add item _pdbx_database_status.pdb_format_compatible to distinguish large entries not represented in PDB format. |
mmcif_pdbx.dic |
| 4.048 | 2014-09-03 | Changes (PDBx/mmCIF Deposition Working Group,jdw): + Added item _refln.pdbx_r_free_flag suggested by PDBx/mmCIF Deposition Working Group |
mmcif_pdbx.dic |
| 4.047 | 2014-07-29 | Changes (jdw): + add optional data item _struct_ref.pdbx_db_isoform |
mmcif_pdbx.dic |
| 4.046 | 2014-07-10 | Changes (jdw): + update enumerations for item _pdbx_molecule_features.class |
mmcif_pdbx.dic |
| 4.045 | 2014-06-15 | Changes (jdw): + Add item _pdbx_struct_conn_angle.ptnr3_symmetry |
mmcif_pdbx.dic |
| 4.044 | 2014-05-07 | Changes (jdw): + update enumerations in category pdbx_SG_project |
mmcif_pdbx.dic |
| 4.043 | 2014-05-02 | Changes (jdw): + Add items _reflns.pdbx_CC_half, _reflns.pdbx_R_split, _reflns_shell.pdbx_CC_half, _reflns_shell.pdbx_R_split + Items _entity_src_gen.pdbx_src_id, _entity_src_nat.pdbx_src_id _pdbx_entity_src_syn.pdbx_src_id added to category key and set to mandatory code implicit with default value of 1. |
mmcif_pdbx.dic |
| 4.042 | 2014-04-03 | Changes (ep/jdw): + extended enumerations for item - _pdbx_contact_author.id |
mmcif_pdbx.dic |
| 4.041 | 2014-03-28 | Changes (ep/jdw): + Editorial corrections in decriptions for items _refine.pdbx_solvent_vdw_probe_radii, _refine.pdbx_solvent_ion_probe_radii, _refine.pdbx_solvent_shrinkage_radii, and _refine.pdbx_overall_ESU_R_Free |
mmcif_pdbx.dic |
| 4.040 | 2014-02-10 | Changes (jdw): + Added definitions _atom_type.pdbx_scat_Cromer_Mann_a5,_atom_type.pdbx_scat_Cromer_Mann_b5,_refine.pdbx_average_fsc_overall, _refine.pdbx_average_fsc_work,_refine.pdbx_average_fsc_free,_refine_ls_shell.pdbx_fsc_work,_refine_ls_shell.pdbx_fsc_free, _refine_hist.pdbx_number_residues_total,_refine_hist.pdbx_B_iso_mean_ligand,_refine_hist.pdbx_B_iso_mean_solvent, _atom_site_anisotrop.pdbx_PDB_model_num |
mmcif_pdbx.dic |
| 4.039 | 2014-01-17 | Changes (jdw): + Update item descriptions and examples for _pdbx_depui_entity_features.type,_entity_poly.pdbx_target_identifier,_reflns.pdbx_Rsym_value, _refine.pdbx_solvent_vdw_probe_radii,_refine.pdbx_solvent_ion_probe_radii,_citation.pdbx_database_id_DOI,_entity.pdbx_description, and _exptl_crystal_grow.pdbx_details and category pdbx_related_exp_data_set. |
mmcif_pdbx.dic |
| 4.038 | 2014-01-09 | Changes (jdw): + Update enumerations for item _pdbx_database_status.status_code + add category pdbx_related_exp_data_set |
mmcif_pdbx.dic |
| 4.037 | 2013-11-22 | Changes (jdw): + Update context values to WWPDB_LOCAL for categories database_PDB_remark and pdbx_contact_author + Update category group memberships |
mmcif_pdbx.dic |
| 4.036 | 2013-10-17 | Changes (jdw): + change mandatory code for _pdbx_nmr_sample_details.label,_pdbx_nmr_sample_details.type,_pdbx_nmr_exptl_sample_conditions.label, _pdbx_nmr_exptl.spectrometer_id,_pdbx_nmr_exptl.sample_state to no. + Update enumeration for _database_2.database_id + Update enumeration for __pdbx_family_prd_audit.action_type + Update category group assignments for NMR data categories and change context values to WWPDB_LOCAL + Update category group assignments for chemical reference dictionaries: ccd_group and bird_group and bird_family_group. + Added category and items _pdbx_family_group_index.id and _pdbx_family_group_index.family_prd_id + Update category and item item context values in categories audit_contact_author, pdbx_database_proc, pdbx_entity_name, struct_biol_gen, atom_site and pdbx_database_status. + add internal items _pdbx_database_status.date_begin_processing, _pdbx_database_status.date_end_processing, _pdbx_database_status.date_begin_deposition, _pdbx_database_status.date_begin_release_preparation, _pdbx_database_status.date_author_release_request |
mmcif_pdbx.dic |
| 4.035 | 2013-08-27 | Changes (jdw): + Added categories - pdbx_struct_special_symmetry pdbx_reference_publication_list pdbx_nmr_assigned_chem_shift_list pdbx_nmr_chem_shift_experiment pdbx_nmr_chem_shift_ref pdbx_nmr_chem_shift_reference pdbx_nmr_chem_shift_software pdbx_nmr_constraint_file pdbx_nmr_software_task pdbx_nmr_spectral_dim pdbx_nmr_spectral_peak_list pdbx_nmr_spectral_peak_software pdbx_nmr_systematic_chem_shift_offset pdbx_nmr_upload pdbx_audit_support pdbx_chem_comp_subcomponent_struct_conn pdbx_chem_comp_subcomponent_entity_list + Added items: _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_alt_id _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id _pdbx_reference_publication_list.publication_abbrev _pdbx_reference_publication_list.ASTM_code_type _pdbx_reference_publication_list.ASTM_code_value _pdbx_reference_publication_list.ISSN_code_type _pdbx_reference_publication_list.ISSN_code_value _pdbx_reference_publication_list.country _pdbx_reference_publication_list.start_year _pdbx_reference_publication_list.end_year _pdbx_nmr_assigned_chem_shift_list.chem_shift_13C_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_15N_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_19F_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_1H_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_2H_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_31P_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_reference_id _pdbx_nmr_assigned_chem_shift_list.conditions_id _pdbx_nmr_assigned_chem_shift_list.data_file_name _pdbx_nmr_assigned_chem_shift_list.details _pdbx_nmr_assigned_chem_shift_list.entry_id _pdbx_nmr_assigned_chem_shift_list.error_derivation_method _pdbx_nmr_assigned_chem_shift_list.id _pdbx_nmr_chem_shift_experiment.assigned_chem_shift_list_id _pdbx_nmr_chem_shift_experiment.entry_id _pdbx_nmr_chem_shift_experiment.experiment_id _pdbx_nmr_chem_shift_experiment.experiment_name _pdbx_nmr_chem_shift_experiment.sample_state _pdbx_nmr_chem_shift_experiment.solution_id _pdbx_nmr_chem_shift_ref.atom_group _pdbx_nmr_chem_shift_ref.atom_isotope_number _pdbx_nmr_chem_shift_ref.atom_type _pdbx_nmr_chem_shift_ref.chem_shift_reference_id _pdbx_nmr_chem_shift_ref.chem_shift_units _pdbx_nmr_chem_shift_ref.chem_shift_val _pdbx_nmr_chem_shift_ref.correction_val _pdbx_nmr_chem_shift_ref.entry_id _pdbx_nmr_chem_shift_ref.external_ref_axis _pdbx_nmr_chem_shift_ref.external_ref_loc _pdbx_nmr_chem_shift_ref.external_ref_sample_geometry _pdbx_nmr_chem_shift_ref.indirect_shift_ratio _pdbx_nmr_chem_shift_ref.mol_common_name _pdbx_nmr_chem_shift_ref.rank _pdbx_nmr_chem_shift_ref.ref_correction_type _pdbx_nmr_chem_shift_ref.ref_method _pdbx_nmr_chem_shift_ref.ref_type _pdbx_nmr_chem_shift_ref.solvent _pdbx_nmr_chem_shift_reference.carbon_shifts_flag _pdbx_nmr_chem_shift_reference.details _pdbx_nmr_chem_shift_reference.entry_id _pdbx_nmr_chem_shift_reference.id _pdbx_nmr_chem_shift_reference.label _pdbx_nmr_chem_shift_reference.nitrogen_shifts_flag _pdbx_nmr_chem_shift_reference.other_shifts_flag _pdbx_nmr_chem_shift_reference.phosphorus_shifts_flag _pdbx_nmr_chem_shift_reference.proton_shifts_flag _pdbx_nmr_chem_shift_software.assigned_chem_shift_list_id _pdbx_nmr_chem_shift_software.entry_id _pdbx_nmr_chem_shift_software.software_id _pdbx_nmr_constraint_file.constraint_filename _pdbx_nmr_constraint_file.constraint_number _pdbx_nmr_constraint_file.constraint_subtype _pdbx_nmr_constraint_file.constraint_type _pdbx_nmr_constraint_file.entry_id _pdbx_nmr_constraint_file.id _pdbx_nmr_constraint_file.software_name _pdbx_nmr_constraint_file.software_ordinal _pdbx_nmr_exptl_sample_conditions.details _pdbx_nmr_exptl_sample_conditions.ionic_strength_err _pdbx_nmr_exptl_sample_conditions.ionic_strength_units _pdbx_nmr_exptl_sample_conditions.label _pdbx_nmr_exptl_sample_conditions.pH_err _pdbx_nmr_exptl_sample_conditions.pH_units _pdbx_nmr_exptl_sample_conditions.pressure_err _pdbx_nmr_exptl_sample_conditions.temperature_err _pdbx_nmr_exptl_sample_conditions.temperature_units _pdbx_nmr_exptl.spectrometer_id _pdbx_nmr_exptl.sample_state _pdbx_nmr_sample_details.label _pdbx_nmr_sample_details.type _pdbx_nmr_sample_details.details _pdbx_nmr_software_task.entry_id _pdbx_nmr_software_task.software_ordinal _pdbx_nmr_software_task.task _pdbx_nmr_spectral_dim.id _pdbx_nmr_spectral_dim.atom_type _pdbx_nmr_spectral_dim.atom_isotope_number _pdbx_nmr_spectral_dim.spectral_region _pdbx_nmr_spectral_dim.magnetization_linkage_id _pdbx_nmr_spectral_dim.sweep_width _pdbx_nmr_spectral_dim.encoding_code _pdbx_nmr_spectral_dim.encoded_source_dimension_id _pdbx_nmr_spectral_dim.entry_id _pdbx_nmr_spectral_dim.spectral_peak_list_id _pdbx_nmr_spectral_peak_list.entry_id _pdbx_nmr_spectral_peak_list.id _pdbx_nmr_spectral_peak_list.data_file_name _pdbx_nmr_spectral_peak_list.solution_id _pdbx_nmr_spectral_peak_list.conditions_id _pdbx_nmr_spectral_peak_list.experiment_id _pdbx_nmr_spectral_peak_list.number_of_spectral_dimensions _pdbx_nmr_spectral_peak_list.details _pdbx_nmr_spectral_peak_list.text_data_format _pdbx_nmr_spectral_peak_software.software_id _pdbx_nmr_spectral_peak_software.entry_id _pdbx_nmr_spectral_peak_software.spectral_peak_list_id _pdbx_nmr_spectrometer.details _pdbx_nmr_systematic_chem_shift_offset.type _pdbx_nmr_systematic_chem_shift_offset.atom_type _pdbx_nmr_systematic_chem_shift_offset.atom_isotope_number _pdbx_nmr_systematic_chem_shift_offset.val _pdbx_nmr_systematic_chem_shift_offset.val_err _pdbx_nmr_systematic_chem_shift_offset.entry_id _pdbx_nmr_systematic_chem_shift_offset.assigned_chem_shift_list_id _pdbx_nmr_upload.data_file_id _pdbx_nmr_upload.data_file_name _pdbx_nmr_upload.data_file_category _pdbx_nmr_upload.data_file_syntax _pdbx_nmr_upload.entry_id _pdbx_nmr_assigned_chem_shift_list.label _pdbx_nmr_assigned_chem_shift_list.conditions_label _pdbx_nmr_spectral_peak_list.label _pdbx_nmr_spectral_peak_list.conditions_label _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal _pdbx_chem_comp_subcomponent_struct_conn.id _pdbx_chem_comp_subcomponent_struct_conn.type _pdbx_chem_comp_subcomponent_struct_conn.entity_id_1 _pdbx_chem_comp_subcomponent_struct_conn.entity_id_2 _pdbx_chem_comp_subcomponent_struct_conn.atom_id_1 _pdbx_chem_comp_subcomponent_struct_conn.atom_id_2 _pdbx_chem_comp_subcomponent_struct_conn.comp_id_1 _pdbx_chem_comp_subcomponent_struct_conn.comp_id_2 _pdbx_chem_comp_subcomponent_struct_conn.seq_id_1 _pdbx_chem_comp_subcomponent_struct_conn.seq_id_2 _pdbx_chem_comp_subcomponent_entity_list.id _pdbx_chem_comp_subcomponent_entity_list.parent_comp_id _pdbx_chem_comp_subcomponent_entity_list.type _pdbx_chem_comp_subcomponent_entity_list.class _chem_comp_atom.pdbx_component_entity_id _chem_comp.pdbx_number_subcomponents _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _pdbx_entity_src_syn.pdbx_src_id _pdbx_entity_src_syn.pdbx_alt_source_flag _pdbx_entity_src_syn.pdbx_beg_seq_num _pdbx_entity_src_syn.pdbx_end_seq_num _entity_poly.pdbx_seq_one_letter_code_sample |
mmcif_pdbx.dic |
| 4.034 | 2013-08-08 | Changes (jdw): + updated enumeration for item _pdbx_database_related.content_type |
mmcif_pdbx.dic |
| 4.033 | 2013-07-01 | Changes (jdw): + updated enumeration for item _entity_poly.type |
mmcif_pdbx.dic |
| 4.032 | 2013-06-14 | Changes (jdw): + updated enumeration for item _pdbx_database_related.content_type |
mmcif_pdbx.dic |
| 4.031 | 2013-04-30 | Changes (jdw): + Add category pdbx_validate_polymer_linkage + Adjust mandatory codes for items in category pdbx_contact_author. |
mmcif_pdbx.dic |
| 4.030 | 2013-03-22 | Changes (jdw): + add optional items _pdbx_validate_main_chain_plane.label_alt_id, _pdbx_validate_planes.lable_alt_id, _pdbx_validate_torsion.label_alt_id + update enumerations for _pdbx_reference_molecule.class and _pdbx_molecule_features.class |
mmcif_pdbx.dic |
| 4.029 | 2013-03-01 | Changes (jdw): + add optional item _struct_ref.pdbx_align_end. |
mmcif_pdbx.dic |
| 4.028 | 2013-02-13 | Changes (jdw): + Update description for item _database_PDB_rev.mod_type + Update enumeration content for _pdbx_reference_molecule_family.release_status _pdbx_reference_molecule.release_status |
mmcif_pdbx.dic |
| 4.027 | 2012-12-13 | Changes (cl,eu,jdw): + Update the following EM enumerations - _em_experiment.reconstruction_method: Add "SUBTOMOGRAM AVERAGING" _em_assembly.aggregation_state: Add "HELICAL CRYSTAL" _em_imaging.specimen_holder_model: Add "JEOL 3200FSC CRYOHOLDER" _em_image_scans.scanner_model: Add "PATCHWORK DENSITOMETER" |
mmcif_pdbx.dic |
| 4.026 | 2012-11-30 | Changes (jdw): + Update enumerations for _pdbx_reference_molecule.class/type, _pdbx_reference_entity_list.type |
mmcif_pdbx.dic |
| 4.025 | 2012-11-13 | Changes (jdw): + Update enumerations for _pdbx_family_prd_audit.action_type and _pdbx_prd_audit.action_type + Update enumerations for _pdbx_reference_molecule.class/type, _pdbx_molecule_features.class/type + Update enumerations for _pdbx_chem_comp_identifier.type/program + Add _chem_comp_atom.pdbx_residue_numbering + Add _chem_comp_atom.pdbx_polymer_type + Add _chem_comp_atom.pdbx_ref_id + Add _chem_comp_atom.pdbx_component_id + Update item descriptions within the pdbx_poly_seq_scheme and pdbx_nonpoly_scheme categories. + Update description for _pdbx_struct_assembly_prop.biol_id + Update joint enumerations for _pdbx_reference_molecule.class. + Update enumeration list for _em_imaging.specimen_holder_model |
mmcif_pdbx.dic |
| 4.024 | 2012-08-13 | Changes (jdw): + add category pdbx_distant_solvent_atoms + remove unused categories pdbx_entity_group_list, pdbx_entity_group_components, pdbx_entity_group_instances + add items _pdbx_validate_chiral.auth_atom_id and _pdbx_validate_chiral.label_alt_id + add items _pdbx_validate_rmsd_bond.bond_target_value,_pdbx_validate_rmsd_bond.bond_standard_deviation, _pdbx_validate_rmsd_angle.angle_target_value, _pdbx_validate_rmsd_angle.angle_standard_deviation + add enumeration 'Initial release' to item _pdbx_chem_comp_audit.action_type |
mmcif_pdbx.dic |
| 4.023 | 2012-02-24 | Changes (jdw): + Correct typo in definition for _refine_ls_restr_ncs.pdbx_rms. + Add category pdbx_molecule_features + correct several parent child data type inconsistencies |
mmcif_pdbx.dic |
| 4.022 | 2012-02-03 | Changes (jdw): + Remove parent link from '_struct_ref_seq_dif.db_mon_id' to '_chem_comp.id'. + Remove items:. _pdbx_reference_entity_poly.nstd_chirality _pdbx_reference_entity_poly.nstd_linkage _pdbx_reference_entity_poly.nstd_monomer _pdbx_reference_entity_poly.number_of_monomers _pdbx_reference_entity_poly_seq.insert_code _pdbx_reference_entity_poly_seq.modification_details _pdbx_reference_entity_poly_seq.modified_mon_id _pdbx_reference_entity_list.auth_asym_id _pdbx_reference_molecule_features.citation_id _pdbx_reference_entity_nonpoly.auth_asym_id _pdbx_reference_entity_nonpoly.auth_seq_id _pdbx_reference_entity_nonpoly.label_alt_id _pdbx_reference_entity_nonpoly.PDB_ins_code _pdbx_reference_entity_poly_link.insert_code_1 _pdbx_reference_entity_poly_link.insert_code_2 _pdbx_reference_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_link.nonpoly_res_num_2 + Remove category _pdbx_reference_molecule_instances + Add new items _pdb_reference_molecule.representative_PDB_id_code _pdbx_reference_molecule.release_status _pdbx_reference_molecule.replaces _pdbx_reference_molecule.replaced_by _pdbx_reference_molecule_family.release_status _pdbx_reference_molecule_family.replaces _pdbx_reference_molecule_family.replaced_by _pdbx_reference_entity_src_nat.source_id _pdbx_reference_molecule_details.source_id + Add new category PDBX_MOLECULE to entry files to identify PRD reference molecules: _pdbx_molecule.instance_id _pdbx_molecule.asym_id _pdbx_molecule.prd_id + Rename category - pdbx_reference_entity_poly_nstd_link to pdbx_reference_entity_poly_link this category expanded to include both standard and non-standard linkages. + Update categories pdbx_item_linked_group and pdbx_item_linked_group_list. |
mmcif_pdbx.dic |
| 4.021 | 2012-01-24 | Changes (jdw): + Added _pdbx_database_PDB_obs_spr.details + The following changes have been made to the new PDBX_REFERENCE_ categories - Renamed categories and items: pdbx_reference_entity_details -> pdbx_reference_molecule_details pdbx_reference_entity_feature -> pdbx_reference_molecule_features pdbx_reference_entity_annotatoin -> pdbx_reference_molecule_annotation pdbx_reference_entity_synonyms -> pdbx_reference_molecule_synonyms pdbx_reference_entity_related_structures -> pdbx_reference_molecule_related_structures pdbx_reference_entity_family -> pdbx_reference_molecule_family pdbx_reference_entity_instance -> pdbx_reference_molecule_instances _pdbx_reference_entity_list.component -> _pdbx_reference_entity_list.component_id _pdbx_reference_entity_list.component renamed -> _pdbx_reference_entity_list.component_id _pdbx_reference_entity_poly_nstd_link.component -> _pdbx_reference_entity_poly_nstd_link.component_id Renamed three_letter_code -> chem_comp_id in items: _pdbx_reference_molecule.chem_comp_id _pdbx_reference_entity_nonpoly.chem_comp_id _pdbx_reference_molecule_instancess.chem_comp_id _pdbx_reference_molecule_synonyms.chem_comp_id _pdbx_reference_entity_subcomponents.chem_comp_id _pdbx_reference_molecule_annotation.chem_comp_id _pdbx_reference_molecule_features.chem_comp_id Added audit categories for molecule and family information: pdbx_prd_audit and pdbx_family_prd_audit Added items: _pdbx_reference_molecule_list.family_prd_id _pdbx_reference_molecule_list.prd_id _pdbx_reference_entity_list.auth_asym_id _pdbx_reference_entity_nonpoly.auth_asym_id _pdbx_reference_entity_nonpoly.auth_seq_id _pdbx_reference_entity_nonpoly.PDB_ins_code _pdbx_reference_entity_nonpoly.label_auth_id _pdbx_reference_molecule.type_evidence_code _pdbx_reference_molecule.class_evidence_code Removed provisional categories - pdbx_reference_entity_group pdbx_reference_entity_group_components pdbx_reference_entity_group_components pdbx_reference_entity_grouping Removed provisional items - _pdbx_reference_molecule.family_prd_id _pdbx_reference_entity_list.family_prd_id _pdbx_reference_entity_nonpoly.family_prd_id _pdbx_reference_molecule_instancess.family_prd_id _pdbx_reference_molecule_instancess.PDB_chain_id_list _pdbx_reference_molecule_instancess.PDB_residue_number _pdbx_reference_entity_subcomponents.family_prd_id _pdbx_reference_entity_link.family_prd_id _pdbx_reference_entity_poly.family_prd_id _pdbx_reference_entity_poly_seq.family_prd_id _pdbx_reference_entity_sequence.family_prd_id _pdbx_reference_entity_src_nat.family_prd_id _pdbx_reference_entity_poly_nstd_link.family_prd_id |
mmcif_pdbx.dic |
| 4.020 | 2012-01-04 | Changes (jdw): + Revise enumerations for category pdbx_sg_project. |
mmcif_pdbx.dic |
| 4.019 | 2011-12-13 | Changes (jdw): + Revise enumerations for item _pdbx_coordinate_model.type + Update enumerations for pdbx_sg_projects category. + Added item _pdbx_database_status.methods_development_category + Update examples for _pdbx_database_related.db_name |
mmcif_pdbx.dic |
| 4.018 | 2011-11-29 | Changes (jdw): + Restore provisional data data items: _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_list.component _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_link.nonpoly_res_num_2 _pdbx_reference_entity_link.link_class _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_poly_nstd_link.insert_code_1 _pdbx_reference_entity_poly_nstd_link.insert_code_2 _pdbx_reference_entity_poly_seq.parent_mon_id _pdbx_reference_entity_poly_seq.insert_code _pdbx_reference_entity_poly_seq.modification_details + _pdbx_reference_entity_list.component made part of key + _pdbx_reference_entity_poly_nstd_link.component made part of key + _pdbx_reference_entity_sequence.family_prd_id added to key + _pdbx_reference_entity_sequence.prd_id added to key + _pdbx_reference_entity_sequence.ref_entity_id added to key + _pdbx_reference_entity_poly_seq.mon_id restored in key + _pdbx_reference_entity_poly_seq.num boundary remove boundary conditions. |
mmcif_pdbx.dic |
| 4.017 | 2011-11-11 | Changes (jdw): + update enumerations for _chem_comp.pdbx_processing_site |
mmcif_pdbx.dic |
| 4.016 | 2011-10-21 | Changes (jdw): + Added item _pdbx_reference_entity_poly_seq.observed + Added item _pdbx_reference_entity_poly_seq.hetero + Corrected typos in the defintions of _pdbx_reference_entity_annotation.source and _pdbx_struct_group_components.PDB_model_num + correct data type and parent references for _pdbx_struct_group_components.auth_comp_id, _pdbx_struct_group_component_range.beg_auth_comp_id, and _pdbx_struct_group_component_range.end_auth_comp_id |
mmcif_pdbx.dic |
| 4.015 | 2011-09-14 | Changes (jdw): + Update enumerations for pdbx_sg_projects category. |
mmcif_pdbx.dic |
| 4.014 | 2011-08-29 | Changes (jdw): + correct typo in enumerations for item _pdbx_struct_group_list.type. |
mmcif_pdbx.dic |
| 4.013 | 2011-07-22 | Changes (jdw): + Update enumerations for pdbx_sg_projects category. |
mmcif_pdbx.dic |
| 4.012 | 2011-07-11 | Changes (jdw): + removed trailing space in enumeration of value for _pdbx_version.revision_type |
mmcif_pdbx.dic |
| 4.011 | 2011-06-14 | Changes (jdw): + update enumeration for _database_2.database_id |
mmcif_pdbx.dic |
| 4.010 | 2011-06-07 | Changes (jdw): + data type relaxed from line to text for -_chem_comp.pdbx_synonym _chem_comp.pdbx_modification_details. + add FLUORESCENCE TRANSFER/'FLUORESCENCE TRANSFER only as a supporting method' to _exptl.method enumeration list. |
mmcif_pdbx.dic |
| 4.009 | 2011-06-01 | Changes (jdw): + update enumerations for _pdbx_chem_comp_audit.action_type' |
mmcif_pdbx.dic |
| 4.008 | 2011-05-27 | Changes (jdw & ak): + correct typo in enumeration for _pdbx_struct_group_list.type + correct typo in example for _em_vitrification.time_resolved_state + correct typo in definition of _pdbx_struct_group_component_range.PDB_model_num + correct typo in example for _reflns.phase_calculation_details + remove redunant information in the following items _pdbx_atom_site_aniso_tls.auth_comp_id, _pdbx_struct_conn_angle.ptnr1_label_alt_id, _pdbx_struct_conn_angle.ptnr2_label_alt_id, and _pdbx_reference_entity_annotation.source + update enumerations for _pdbx_SG_project.project_name + update enumerations for _pdbx_SG_project.full_name_of_center |
mmcif_pdbx.dic |
| 4.007 | 2011-05-13 | Changes (jdw): + _exptl.method enumeration and details extended with 'THEORETICAL MODEL' 'THEORETICAL MODEL only as a supporting method' + added new items -_refln.pdbx_FWT,_refln.pdbx_DELFWT,_refln.pdbx_PHWT, and _refln.pdbx_DELPHWT + updated examples for _symmetry.space_group_name_H-M + add _refine_ls_restr.pdbx_refine_id to category key + add item pdbx_version.revision_type as key item in this category + _pdbx_version.minor_version data type changed to code. + update aliases for _pdbx_database_status.status_code_cs + add enumerations for _pdbx_version.revision_type + update enumerations for PSI centers - + extended enumeratio for _refine.pdbx_TLS_residual_ADP_flag + _em_imaging.microscope_id made optional - + relax parent child relationship for _pdbx_remediation_atom_site_mapping.auth_alt_id |
mmcif_pdbx.dic |
| 4.006 | 2011-04-21 | Changes: (jdw): + updated enumeration list for _pdbx_SG_project items. |
mmcif_pdbx.dic |
| 4.005 | 2011-04-19 | Changes: (jdw): + Add item _pdbx_reference_entity_poly_seq.modification_details |
mmcif_pdbx.dic |
| 4.004 | 2011-04-13 | Changes: (jdw): + The roles of _pdbx_reference_entity_poly_seq.modified_mon_id and _pdbx_reference_entity_poly_seq.mon_id swapped. + _pdbx_reference_entity_poly_seq.modified_mon_id removed + _pdbx_reference_entity_poly_seq.parent_mon_id added as an optional item for the parent items in ribosomal proteins. + _pdbx_reference_entity_poly_seq.mon_id made mandatory and part of key + corrected examples link examples with bond orders = 'sing' + relax the comma separated item data type + add famil_prd_id and ref_entity_id to the category key of pdbx_entity_reference_sequence |
mmcif_pdbx.dic |
| 4.003 | 2011-04-13 | Changes: (jdw): + removed duplicate _pdbx_reference_entity_poly_seq.hetero definition + Changed the lower limit for _pdbx_reference_entity_poly_seq.num to include 0 |
mmcif_pdbx.dic |
| 4.002 | 2011-04-08 | Changes: (jdw): + Added items - _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_poly_seq.hetero |
mmcif_pdbx.dic |
| 4.001 | 2011-04-07 | Changes: (jdw): + Added items - _pdbx_reference_entity_list.component _pdbx_reference_entity_entity_link.link_class _pdbx_reference_entity_entity_link.entity_seq_num_1 _pdbx_reference_entity_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_entity_link.entity_seq_num_2 _pdbx_reference_entity_entity_link.nonpoly_res_num_2 |
mmcif_pdbx.dic |
| 4.000 | 2011-04-06 | Changes (jdw): + Release as provision version 4.000 |
mmcif_pdbx.dic |
| 3.316 | 2011-04-05 | Changes (jdw): + Added non-standard polymer linking details in category PDBX_REFERENCE_ENTITY_POLY_NSTD_LINK + Added _pdbx_reference_entity_list.nonpoly_residue_number + Changed the representative flag item name to _pdbx_reference_entity_instances.prd_representative_flag. + Added instance level nonpolymer residue preference, _pdbx_entity_group_components.nonpoly_residue_number |
mmcif_pdbx.dic |
| 3.315 | 2011-03-31 | Changes (jdw): + Add comma separated data type ucode-alphanum-csv + Revised with additional categories to capture entity level details. PDBX_REFERENCE_ENTITY_LIST PDBX_REFERENCE_ENTITY_NONPOLY PDBX_REFERENCE_ENTITY_LINK ref_entity_id incorporated as an additional key where appropriate. _pdbx_reference_entity_list.ref_entity_id _pdbx_reference_entity_nonpoly.ref_entity_id _pdbx_reference_entity_link.ref_entity_id_1 _pdbx_reference_entity_poly.ref_entity_id _pdbx_reference_entity_poly_seq.ref_entity_id _pdbx_reference_entity_sequence.ref_entity_id + New categories to be included within PDB entries -- PDBX_ENTITY_GROUP_LIST and PDBX_STRUCT_GROUP_LIST and related categories are provided to map entity level information to the copies in the deposited coordinates. PDBX_ENTITY_GROUP_INSTANCES is provided to map entity-level molecular definitions to coordinate observations in the PDBX_STRUCT_GROUP_LIST. |
mmcif_pdbx.dic |
| 3.314 | 2011-03-24 | Changes (jdw): + updated enumeration list for _pdbx_SG_project.project_name. |
mmcif_pdbx.dic |
| 3.313 | 2011-02-21 | Changes (jdw): + Added categories pdbx_entity_group and pdbx_entity_group_components |
mmcif_pdbx.dic |
| 3.312 | 2011-02-03 | Changes (jdw): + Removed _chem_comp.type 'Iso-peptide linking' enumeration and replaced this with - 'L-gamma-peptide, C-delta linking', 'D-gamma-peptide, C-delta linking', 'L-beta-peptide, C-gamma linking', and 'D-beta-peptide, C-gamma linking'. |
mmcif_pdbx.dic |
| 3.311 | 2011-01-25 | Changes (jdw): + Added new category pdbx_struct_comp_nstd_link. + Added _chem_comp.type 'Iso-peptide linking' enumeration. |
mmcif_pdbx.dic |
| 3.310 | 2010-11-29 | Changes (jdw): Added new categories for PRD - pdbx_reference_entity_group, pdbx_reference_entity_group_components, and pdbx_reference_entity_grouping |
mmcif_pdbx.dic |
| 3.309 | 2010-11-22 | Changes (jdw): +parent for _pdbx_remediation_atom_site_mapping.auth_alt_id removed. |
mmcif_pdbx.dic |
| 3.308 | 2010-11-19 | Changes (jdw): + Added __reflns.phase_calculation_details from the v3.2 dictionary + Replaced _refine.pdbx_adp_type with _refine.pdbx_TLS_residual_ADP_flag |
mmcif_pdbx.dic |
| 3.307 | 2010-09-30 | Changes (jdw): + change data type for _chem_comp.name from line to text. + add pdbx_entity_reference_family category and add pdbx_entity_reference_family.family_prd_id as a part of key in pdbx_entity_reference* categories. + _pdbx_reference_entity_poly.db_code and _pdbx_reference_entity_poly.db_name |
mmcif_pdbx.dic |
| 3.306 | 2010-09-24 | Changes (jdw): + _chem_comp.pdbx_processing_site enumerations revised to 'PDBE' 'PDBJ' 'RCSB' + pdbx_chem_comp_atom_feature category + data type for _chem_comp.one_letter_code changed from uchar1 to ucode to handle components derived from multiple parent components and chromophores. + standardized enumerations for _pdbx_database_status.process_site and deposit_site. + _chem_comp.pdbx_release_status enumeration extended with REF_ONLY to identify reference components. |
mmcif_pdbx.dic |
| 3.305 | 2010-09-16 | Changes (jdw): + Data type for _pdbx_chem_comp_audit.action_type changed from code to line. + Enumerations details corrected for _chem_comp_bond.pdbx_stereo_config |
mmcif_pdbx.dic |
| 3.304 | 2010-08-02 | Changes (jdw): + Updated enumerations for item _pdbx_chem_comp_audit.action_type and the example for this category. |
mmcif_pdbx.dic |
| 3.303 | 2010-06-29 | Changes (jdw): + Added items for fiber diffraction data collection - _refln.pdbx_fiber_layer, _refln.pdbx_fiber_coordinate, _refln.pdbx_fiber_F_meas_au |
mmcif_pdbx.dic |
| 3.302 | 2010-06-16 | Changes (jdw): + _exptl.method - updated enumerations and details 'INFRARED SPECTROSCOPY' 'IR and FTIR only as supporting methods' 'EPR' 'EPR only as a supporting method' |
mmcif_pdbx.dic |
| 3.301 | 2010-06-10 | Changes (jdw): + Change to ordinal key in category REFLNS adding pdbx_ordinal. + Admit multiple comma separated values for child items of pdbx_diffrn_id. + added - _pdbx_database_status.date_hold_chemical_shifts _pdbx_database_status.date_chemical_shifts _pdbx_database_status.recvd_chemical_shifts _pdbx_database_status.dep_release_code_chemical_shifts _pdbx_database_status.date_of_cs_release _pdbx_database_status.status_code_cs |
mmcif_pdbx.dic |
| 3.300 | 2010-06-04 | PRELIMINARY DICTIONARY SUPPORT V3.3 FORMAT (jdw): + added _refine.pdbx_adp_type - to differentiate entries containing mark residual or full temperature factors + Modified _atom_site.B_iso_or_equiv definition modified to reflect new type information in _refine.pdbx_adp_type + Change _refln.wavelength_id mandatory code to NO (optional) + Change _diffrn_refln.wavelength_id mandatory code to NO (optional) + Change _refln.crystal_id mandatory code to NO (optional) + Change _refln.scale_group_code mandatory code to NO (optional) + Change _diffrn_radiation.wavelength_id mandatory code to NO (optional) + Add _diffrn_radiation.pdbx_scattering_type + Add _refln.pdbx_diffrn_id as optional child item of _diffrn.id + Add _reflns.pdbx_diffrn_id as optional child of item _diffrn.id + Add _refine.pdbx_diffrn_id as optional child of item _diffrn.id + Add _reflns_shell.pdbx_ordinal as ordinal category key for reflns_shell category. + Add _reflns_shell.pdbx_diffrn_id as optional child of item _diffrn.id + Deprecate catetory PDBX_DIFFRN_REFLNS_SHELL + Change category key for REFLNS to _reflns.pdbx_diffrn_id + Change cateogry key for REFLNS_SHELL to _reflns_shell.pdbx_ordinal |
mmcif_pdbx.dic |
| 1.0676 | 2010-06-03 | Changes (jdw): + revisions for peptide reference dictionary in the pdbx_reference_entity_* category hierarchy. + added _pdbx_entity_src_syn.strain. + added _atom_site.pdbx_auth_asym_id,_atom_site.pdbx_auth_comp_id, _atom_site.pdbx_auth_seq_id + updated examples for the pdbx_reference_entity_* categories - + added category pdbx_reference_entity_sequence + added item _pdbx_reference_entity_instances.published_name + removed unused item _pdbx_reference_entity_feature.support + added _pdbx_reference_entity_feature.source_ordinal _pdbx_reference_entity_src_nat.source _pdbx_reference_entity.class _pdbx_reference_entity_related_structures.db_accession + renamed items in pdbx_reference_entity_related_structures category - _pdbx_reference_entity_related_structures.db_name _pdbx_reference_entity_related_structures.db_code + add category pdbx_bond_distance_limits + remove _pdbx_reference_entity_poly_seq.mon_id from category key + added items - _pdbx_reference_entity_instances.auth_asym_id _pdbx_reference_entity_instances.auth_seq_id _pdbx_reference_entity_instances.label_alt_id _pdbx_reference_entity_instances.PDB_ins_code _pdbx_reference_entity_instances.published_subcomponent + Added REFI to enumerations for _pdbx_database_status.status_code and _pdbx_database_status.release_status_code |
mmcif_pdbx.dic |
| 1.0675 | 2010-02-04 | Changes (jdw): + update aliases to local dictionaries + added _pdbx_soln_scatter_model.representative_conformer + added _pdbx_remediation_atom_site_mapping.occupancy + added _pdbx_remediation_atom_site_mapping.pre_occupancy + added enumeration 'tetartohedral' for _pdbx_reflns_twin.type + added _struct.pdbx_CASP_flag + added items for latest version of Buster. _refine.pdbx_overall_SU_R_free_Cruickshank_DPI _refine.pdbx_overall_SU_R_Blow_DPI _refine.pdbx_overall_SU_R_free_Blow_DPI _refine_ls_restr.pdbx_restraint_function |
mmcif_pdbx.dic |
| 1.0674 | 2009-10-28 | Changes (jdw): + Add _pdbx_validate_planes.type enumerations for 'SIDE CHAIN' and 'MAIN CHAIN' and deprecate values that contained underscores (e.g. MAIN_CHAIN). Update data type and category examples. + Added _pdbx_chem_comp_audit.processing_site and _pdbx_chem_comp_audit.details + Update enumerations for _pdbx_chem_comp_audit.action_type. + Added _pdbx_remediation_atom_site_mapping.auth_alt_id,_pdbx_remediation_atom_site_mapping.auth_asym_id, _pdbx_remediation_atom_site_mapping.auth_atom_id,_pdbx_remediation_atom_site_mapping.auth_comp_id, _pdbx_remediation_atom_site_mapping.auth_seq_id |
mmcif_pdbx.dic |
| 1.0673 | 2009-07-23 | Changes (jdw): + Complete missing definition elements for chem_comp_atom.type_symbol and remove parent-child for this item which is not supported in the current packaging of the chemical components dictionary. + Add _chem_comp.type's for 'L-RNA linking' 'L-DNA linking' |
mmcif_pdbx.dic |
| 1.0672 | 2009-06-02 | Changes (jdw): + Add category pdbx_remediation_atom_site_mapping + update internal tables of link relationships + minor typographical corrections in several examples. |
mmcif_pdbx.dic |
| 1.0671 | 2009-05-12 | Changes (jdw): + Add '_struct_conn.pdbx_value_order' |
mmcif_pdbx.dic |
| 1.0670 | 2009-03-13 | Changes (jdw): + Add '_refine_ls_restr_ncs.pdbx_ordinal' as new category key for this category. + Add '_refine_ls_restr_ncs.pdbx_auth_asym_id' as new category key for this category. + Add optional identifier _pdbx_refine_component.PDB_ins_code. + Make '_atom_sites_alt.id' child of '_atom_site.label_alt_id' to avoid unspecified parent identifier issue with this item. + Update missing values in category examples accross the dictionary. + _pdbx_struct_assembly.oligomeric_details enumeration suppressed. + _pdbx_database_related.content_type - added enumeration 're-refinement' + Examples for _exptl.method promoted to an enumeratation. + added optional item _pdbx_struct_assembly_gen.auth_asym_id_list + _pdbx_refine_tls_group.selection enumerations changed to examples, type changed to line. |
mmcif_pdbx.dic |
| 1.0669 | 2009-01-16 | Changes (jdw): Add _struct_site.pdbx_evidence_code. |
mmcif_pdbx.dic |
| 1.0668 | 2008-12-17 | Changes (jdw): + update descriptions for _chem_comp.three_letter_code and _chem_comp.one_letter_code. + fix alias definiftion for _pdbx_nmr_exptl_sample.concentration_range. |
mmcif_pdbx.dic |
| 1.0667 | 2008-12-11 | Changes (jdw): + Add enumeration for InChIKey to _pdbx_chem_comp_descriptor.type + Add - 120-meric 180-meric 240-meric 62-meric 108-meric to oligomeric_details + Add viral symmetry descriptions to oligomeric_details: cyclic tetrahedral dihedral octahedral icosahedral to oligomeric_details + Add pseudo-merohedral to _pdbx_reflns_twin.type enumeration + Add item _pdbx_struct_assembly.oligomeric_count which provides integer count of the members of the assembly corresponding to the text description in oligomeric_details. + Add item _pdbx_struct_oper_list.symmetry_operation to hold symop in (x,y,z) format. + _pdbx_entity_src_gen.ncbi_taxonomy_id, _pdbx_entity_src_gen.organism_scientific and _pdbx_entity_src_gen.organism_common_name added to capture biological origin of synthetic molecule. Updates in EM data items: (cb,cl,jw): + Modified the data type code - change "line" to "text": _em_assembly.composition _em_assembly.name _em_3d_fitting.software_name _em_entity_assembly.ebi_expression_system _em_vitrification.instrument _em_imaging.specimen_holder_type + Inserted missing items. _em_3d_reconstruction.euler_angles_details _em_3d_reconstruction.num_class_averages _em_3d_reconstruction.software _em_entity_assembly.mutant_flag _em_entity_assembly.number_of_copies _em_entity_assembly.oligomeric_details _em_imaging.astigmatism _em_imaging.electron_beam_tilt_params + Added "NONE" to the enumeration list for _em_vitrification.cryogen_name + Added "OTHER" to the enumeration list for _em_virus_entity.virus_isolate + Updated enumeration list for _em_image_scans.scanner_model 'NIKON SUPER COOLSCAN 9000' 'NIKON COOLSCAN' 'PRIMESCAN' 'IMAGE SCIENCE PATCHWORK DENSITOMETER' 'EIKONIX IEEE 488' + Updated enumeration list for _em_imaging.specimen_holder_model _item_enumeration.value 'JEM3200FSC CRYOHOLDER' 'PHILIPS ROTATION HOLDER' 'HOME BUILD' 'JEOL' 'SIDE ENTRY, EUCENTRIC' + Updated the enumeration list for _em_microscope.model: _item_enumeration.value 'JEM2200FS' 'JEM3200FSC' 'PHILIPS EM400' 'PHILIPS EM420' 'JEOL 1200EX II' 'FEI TECNAI G20' 'ZEISS LEO 912' 'TECNAI G2' + Added the following items for the polymer reference dictionary. These items will appear only in the polymer reference dictionary, and not in any PDB entry data files. + Unused category _pdbx_entity_annotation renamed to _pdbx_reference_entity_annoation. _pdbx_reference_entity.id _pdbx_reference_entity.description _pdbx_reference_entity.details _pdbx_reference_entity.formula_weight _pdbx_reference_entity.formula_weight _pdbx_reference_entity.formula _pdbx_reference_entity.type _pdbx_reference_entity.name _pdbx_reference_entity.represent_as _pdbx_reference_entity.3-letter-code _pdbx_reference_entity_synonyms.entity_id _pdbx_reference_entity_synonyms.name _pdbx_reference_entity_components.entity_id _pdbx_reference_entity_components.names _pdbx_reference_entity_poly.entity_id _pdbx_reference_entity_poly.nstd_chirality _pdbx_reference_entity_poly.nstd_linkage _pdbx_reference_entity_poly.nstd_monomer _pdbx_reference_entity_poly.number_of_monomers _pdbx_reference_entity_poly.type _pdbx_reference_entity_poly_seq.entity_id _pdbx_reference_entity_poly_seq.mon_id _pdbx_reference_entity_poly_seq.num _pdbx_reference_entity_poly_seq.nstd_mon_parent_id _pdbx_reference_entity_annotation.entity_id _pdbx_reference_entity_annotation.text _pdbx_reference_entity_annotation.type _pdbx_reference_entity_annotation.support _pdbx_reference_entity_annotation.source _pdbx_reference_entity_feature.entity_id _pdbx_reference_entity_feature.type _pdbx_reference_entity_feature.support _pdbx_reference_entity_feature.value _pdbx_reference_entity_feature.source _pdbx_reference_entity_src_nat.entity_id _pdbx_reference_entity_src_nat.organism_scientific _pdbx_reference_entity_src_nat.strain |
mmcif_pdbx.dic |
| 1.0666 | 2008-11-25 | + make _struct_mon_prot_cis.pdbx_id ordinal key for this category. |
mmcif_pdbx.dic |
| 1.0665 | 2008-11-21 | + change oligomeric_details enumerations from -mer to -meric |
mmcif_pdbx.dic |
| 1.0664 | 2008-11-17 | + add additional enumerations for oligomeric_details + add _exptl.method to category key. |
mmcif_pdbx.dic |
| 1.0663 | 2008-11-12 | + add enumeration for oligomeric_details + added items - _exptl_crystal.pdbx_mosaicity _exptl_crystal.pdbx_mosaicity_esd _reflns_shell.pdbx_rejects _diffrn_reflns.pdbx_d_res_low _diffrn_reflns.pdbx_d_res_high _diffrn_reflns.pdbx_percent_possible_obs _diffrn_reflns.pdbx_Rmerge_I_obs _diffrn_reflns.pdbx_Rsym_value _diffrn_reflns.pdbx_chi_squared _diffrn_reflns.pdbx_redundancy _diffrn_reflns.pdbx_rejects _diffrn_reflns.pdbx_observed_criterion _diffrn_reflns.pdbx_number_obs _pdbx_diffrn_reflns_shell.diffrn_id _pdbx_diffrn_reflns_shell.d_res_low _pdbx_diffrn_reflns_shell.d_res_high _pdbx_diffrn_reflns_shell.percent_possible_obs _pdbx_diffrn_reflns_shell.Rmerge_I_obs _pdbx_diffrn_reflns_shell.Rsym_value _pdbx_diffrn_reflns_shell.chi_squared _pdbx_diffrn_reflns_shell.redundancy _pdbx_diffrn_reflns_shell.rejects _pdbx_diffrn_reflns_shell.number_obs |
mmcif_pdbx.dic |
| 1.0662 | 2008-11-10 | Changes (jdw): + remove spaces from enumerations in pdbx_reflns_twin.operator. |
mmcif_pdbx.dic |
| 1.0661 | 2008-10-31 | Changes (jdw): Added enum 'Medical Structural Genomics of Pathogenic Protozoa' /MSGPP |
mmcif_pdbx.dic |
| 1.0660 | 2008-10-30 | Changes (jdw): + add _audit_author.pdbx_ordinal and make this category key for this audit_author category. + allow whitespace for all entity_src_gen.*taxonomy_id items. + add _pdbx_struct_assembly.oligomeric_details |
mmcif_pdbx.dic |
| 1.0659 | 2008-10-23 | Changes (jdw): + add _chem_comp.type 'peptide linking' |
mmcif_pdbx.dic |
| 1.0658 | 2008-10-15 | Changes (jdw): + added _reflns.pdbx_number_measured_all. |
mmcif_pdbx.dic |
| 1.0657 | 2008-10-08 | Changes (jdw): + add _atom_site.pdbx_formal_charge |
mmcif_pdbx.dic |
| 1.0656 | 2008-10-04 | Changes (jdw): +add _pdbx_nmr_exptl_sample.concentration_range |
mmcif_pdbx.dic |
| 1.0655 | 2008-10-03 | Changes (jdw): + add _software.pdbx_ordinal and _pdbx_nmr_software.ordinal and make these category keys in these categories. + set _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id type to line |
mmcif_pdbx.dic |
| 1.0654 | 2008-09-18 | Changes (jdw): + adjust enumeratiom for _pdbx_database_related.content_type |
mmcif_pdbx.dic |
| 1.0653 | 2008-09-17 | Changes (jdw): + Remove parent item for _refine_hist.pdbx_refine_id |
mmcif_pdbx.dic |
| 1.0652 | 2008-09-12 | Changes (jdw): + add _pdbx_reflns_twin.domain_id + add _pdbx_reflns_twin.operator to category key + adjust mandatory codes in pdbx_reflns_twin |
mmcif_pdbx.dic |
| 1.0651 | 2008-09-04 | Changes: (jdw) + Removed item_linked constraints on author identifiers and residue ranges in pdbx_refine_tls_group. Residue ranges treated as author provided parameters used for program input not necessarily corresponding to observed residues in the deposited entry. + Added _pdbx_refine_tls_group.selection_details to capture text description of TLS selection group. + Simplified category key for struct_ncs_dom_lim. + Added struct_ncs_dom_lim.selection_details + Updated examples for _exptl.method + Relax data type _refine.pdbx_refine_id and all of its children. + Make _struct_ncs_dom_lim.label_alt_id optional + Correct alias on _pdbx_refine.pdbx_refine_id |
mmcif_pdbx.dic |
| 1.064 | 2008-09-03 | Changes: (jdw) + Add category pdbx_atom_site_aniso_tls + Add category pdbx_struct_chem_comp_feature |
mmcif_pdbx.dic |
| 1.063 | 2008-08-26 | Changes: (jdw) + added pdbx_refine_id to the following category keys to distinguish joint refinement methods: refine refine_analyze refine_hist refine_ls_restr refine_ls_restr_ncs refine_ls_shell pdbx_refine_tls pdbx_refine_tls_group pdbx_refine pdbx_xplor_file pdbx_refine_aux_file |
mmcif_pdbx.dic |
| 1.062 | 2008-08-19 | Changes: (jdw) + Added _pdbx_poly_seq_scheme.hetero |
mmcif_pdbx.dic |
| 1.061 | 2008-08-15 | Changes: (jdw): + Add _pdbx_entity_annotation.source, _pdbx_chem_comp_feature.support + Make _pdbx_entity_annotation.text part of category key + Correct typo in enumeration in _pdbx_reflns_twin.type + Add enumerations for antibiotics to _entity.type and _entity_poly.type. |
mmcif_pdbx.dic |
| 1.060 | 2008-07-30 | Changes: (jdw): + update enumerations in _pdbx_database_related.content_type with 'split entry' + _pdbx_database_related.content_type added to key of this category. |
mmcif_pdbx.dic |
| 1.059 | 2008-07-27 | Changes: (jdw): + correct item_link for _pdbx_validate_chiral.auth_comp_id |
mmcif_pdbx.dic |
| 1.058 | 2008-07-25 | Changes: (jdw): + _pdbx_nmr_refine.method made optional: + adjust data type regular expression for ec-type + add _chem_comp_atom.pdbx_component_atom_id + add _chem_comp_atom.pdbx_component_comp_id + add _chem_comp_atom.pdbx_subcomponent_list + added _pdbx_chem_comp_feature.comp_id, _pdbx_chem_comp_feature.type, _pdbx_chem_comp_feature.value and _pdbx_chem_comp_feature.source + _chem_comp.type added enumeration - 'peptide-like' + added _pdbx_coordinate_model.asym_id and _pdbx_coordinate_model.type + _reflns_shell.d_res_low _refine_ls_shell.d_res_low removed from key + _pdbx_nmr_software.authors made type text + _phasing_MAD_clust.id made type line + _phasing_MAD_expt.id made type line + add enumerations for sg projects + addjust parent child relationships for refine_ls_restr_ncs |
mmcif_pdbx.dic |
| 1.057 | 2008-07-18 | Changes: (jdw): Added - _struct.pdbx_model_type_details |
mmcif_pdbx.dic |
| 1.056 | 2008-07-16 | Changes: (jdw/cl) Added items: _em_experiment.entry_id _em_experiment.reconstruction_method _em_experiment.specimen_type _em_single_particle_entity.entry_id _em_single_particle_entity.symmetry_type Updated enumerations for: _em_assembly.aggregation_state |
mmcif_pdbx.dic |
| 1.055 | 2008-06-20 | Changes: (jdw) Make the following items made optional - _pdbx_struct_assembly_prop.details _ndb_struct_na_base_pair.i_PDB_ins_code _ndb_struct_na_base_pair.j_PDB_ins_code _ndb_struct_na_base_pair_step.i_PDB_ins_code_1 _ndb_struct_na_base_pair_step.j_PDB_ins_code_1 _ndb_struct_na_base_pair_step.i_PDB_ins_code_2 _ndb_struct_na_base_pair_step.j_PDB_ins_code_2 _struct_ref_seq_dif.db_mon_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_alt_id _struct_site_gen.label_alt_id _pdbx_struct_mod_residue.details _refine.ls_d_res_low _struct_conn.ptnr1_label_atom_id _struct_conn.ptnr2_label_atom_id _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.seq_num Parent child corrections in categories pdbx_poly_seq_scheme (entity_id exchange parent and child references) struct_ref_seq_dif Remove the following items from category key and make optional. _entity_name_com.name _entity_name_sys.name _pdbx_nmr_software.version _software.version Add approximate regex for Enzyme Commission number. |
mmcif_pdbx.dic |
| 1.054 | 2008-06-09 | Changes: (jdw) + Removed parent child constraints from items - _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_label_asym_id |
mmcif_pdbx.dic |
| 1.053 | 2008-05-29 | Changes: (jdw) + This dictionary is the first version supporting PDB V3.2 + Added- _refine_ls_restr_ncs.pdbx_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id to category keys - |
mmcif_pdbx.dic |
| 1.052 | 2008-05-29 | Changes: (jdw) + Added- _refine_ls_restr_ncs.pdb_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id. + Removed parent-child references to the atom_site category from categories pdbx_unobs_or_zero_occ_atoms/residues. ** Note this is the last version of the dictionary supporting version PDB 3.1 files. |
mmcif_pdbx.dic |
| 1.051 | 2008-02-10 | Changes: (jw): + Added contributed item from Acta Cryst. editors by way of Brian McMahon, _reflns.pdbx_d_opt. |
mmcif_pdbx.dic |
| 1.050 | 2008-01-24 | Changes (jdw,zf): + make _pdbx_validate_close_contact.symm_as_xyz_1,2 optional |
mmcif_pdbx.dic |
| 1.049 | 2008-01-09 | + Added _entity_poly.rcsb_build_self_reference, _refine.pdbx_overall_phase_error and _refine_ls_shell.pdbx_phase_error + Added contributed items from Howard Einsphar and Manfred Weiss - _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all |
mmcif_pdbx.dic |
| 1.048 | 2007-11-18 | Changes: (jdw/kh) + allow leading '+' for data type int + add '[]' to allowed characters for data types code and ucode - + make items other than the category key in ENTITY_SRC_NAT optional. |
mmcif_pdbx.dic |
| 1.047 | 2007-08-24 | Changes: (jdw/kh/zf) + Add categories pdbx_struct_ref_seq_insertion and pdbx_struct_ref_seq_deletion. |
mmcif_pdbx.dic |
| 1.046 | 2007-08-14 | Changes: (jdw/kh/zf) + Replace ebi_validate_* categories with pdbx_validate_* categories including categories describing planar deviations. These categories provide placeholder definitions for mapping PDB REMARK 500 validation data and other PDB remarks - Added categories: pdbx_validate_close_contact,pdbx_validate_symm_contact,pdbx_validate_rmsd_bond, pdbx_validate_rmsd_angle,pdbx_validate_torsion,pdbx_validate_peptide_omega, pdbx_validate_chiral,pdbx_validate_planes,pdbx_validate_planes_atom, pdbx_validate_main_chain_plane, pdbx_struct_conn_angle, pdbx_unobs_or_zero_occ_residues pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue, and pdbx_entry_details + Add 'identity operation' to enums for _pdbx_struct_oper_list.type + _chem_comp.pdbx_processing_site added. |
mmcif_pdbx.dic |
| 1.045 | 2007-06-23 | Changes: (jdw) + change data type for _pdbx_database_PDB_obs_spr.replace_pdb_id to line + remove parent/child relationship for - _chem_comp.mon_nstd_parent_comp_id + extend enumerations for _pdbx_SG_project + data type _diffrn_detector.pdbx_collection_date made yyyy-mm-dd:hh:mm-flex + extend enumerations for _pdbx_nmr_exptl_sample.concentration_units + make pdbx_database_status - author_release_status and recvd_initial_deposition_date items optional + adjust enumeration case for _pdbx_chem_comp_descriptor.type + supress parent relationship for _phasing_MIR_der_site.atom_type_symbol + uchar3 adjusted to accept all possible 3-letter-code values - + extended enumeration for _software.language + data type for _chem_comp.mon_nstd_parent_comp_id changed to uline |
mmcif_pdbx.dic |
| 1.044 | 2007-05-30 | Changes: (jdw/as) + added _citation_author.ordinal to category key + remove duplicate data item specifications in category entity_src_gen + miscellaneous corrections to data item references in definitions + make all 'replaces/replacedby' relationships reciprocal + make all key items mandatory. + add program and program_version to the key of category pdbx_chem_comp_identifier + suppress aliases to the ebi_extension dictionary. |
mmcif_pdbx.dic |
| 1.043 | 2007-05-28 | Changes: (jdw) + adjust child data types for consistency with parent types. + removed aliases to local status items in pdbx_database_status. |
mmcif_pdbx.dic |
| 1.042 | 2007-05-20 | Changes: (jdw) + Add _software.classification to category key. + Change enumerations for _pdbx_chem_comp_descriptors.program and _pdbx_chem_comp_identifiers.program to examples. + Make category keys in audit_conform mandatory + remove incorrect parent-child link to _pdbx_struct_assembly_gen.oper_expression + Added _pdbx_struct_assembly_gen.asym_id_list and replaced _pdbx_struct_assembly_gen.entity_inst_id with this item in the key for this category. Suppressed parent child relationships between _pdbx_struct_entity_inst.id and categories outside the _pdbx_struct_* group. + Added _chem_comp.pdbx_model_coordinates_db_code, _chem_comp.pdbx_initial_date, _chem_comp.pdbx_modified_date. + Data types changed to int for - _atom_site.pdbx_PDB_model_num, _struct_conf.pdbx_PDB_helix_length, _pdbx_poly_seq_scheme.ndb_seq_num, _pdbx_struct_sheet_hbond.range_1_label_seq_id, _pdbx_struct_sheet_hbond.range_2_label_seq_id, _atom_site_anisotrop.pdbx_label_seq_id, _struct_conn.pdbx_ptnr3_label_seq_id. + _em_vitrification.humidity data type changed to float. + category key for refine_ls_restr_ncs changed to _refine_ls_restr_ncs.dom_id, _refine_ls_restr_ncs.pdbx_type, _refine_ls_restr_ncs.pdbx_asym_id. |
mmcif_pdbx.dic |
| 1.041 | 2007-04-04 | Changes: (jdw) Adjust category key for PDBX_VERSION category. Update definition of _pdbx_struct_oper_list.id |
mmcif_pdbx.dic |
| 1.040 | 2007-03-20 | Changes: (jdw) + skip version 1.039 to sync with remediation dictionary version. + Updated enumerations and boundary values for _pdbx_database_status.deposit_site *.isotopic_labeling, _citation.pdbx_database_id_PubMed. |
mmcif_pdbx.dic |
| 1.038 | 2007-02-02 | Changes: (jdw) + Added category PDBX_VERSION. |
mmcif_pdbx.dic |
| 1.037 | 2006-12-15 | Changes: (jdw) + corrected type in _chem_comp.pdbx_ideal_coordinates_details _chem_comp.pdbx_model_coordinates_details definitions. + added _chem_comp.pdbx_ideal_coordinates_missing_flag + added _chem_comp.pdbx_model_coordinates_missing_flag + In chem_comp_atom /bond - added missing enumerations for atom/bond stereo_config and aromatic flags. + added PUBCHEM_SID and PUBCHEM_CID to pdbx_chem_comp_identifier.type. |
mmcif_pdbx.dic |
| 1.036 | 2006-11-14 | Changes: (jdw) + revise category keys in pdbx_chem_comp_atom_edit and pdbx_chem_comp_bond_edit. + removed unused category pdbx_chem_comp_protonation_site + added _chem_comp.pdbx_model_coordinates_details and _chem_comp.pdbx_ideal_coordinates_details. |
mmcif_pdbx.dic |
| 1.035 | 2006-11-05 | Changes: (jdw) + missing data types in pdbx_struct_msym/asym_gen. + _citation.pdbx_unpublished enum typo |
mmcif_pdbx.dic |
| 1.034 | 2006-11-01 | Changes: (jdw) + Adjust mandatory codes for pdbx_entity_inst_id. |
mmcif_pdbx.dic |
| 1.033 | 2006-10-16 | Changes: (jdw) + Correct typos pdbx_chem_comp_descriptors/identifiers + add ordinal data items to these cateogories. + added _pdbx_refine.free_R_error_no_cutoff |
mmcif_pdbx.dic |
| 1.032 | 2006-10-12 | Changes: (jdw) +Added Categories: pdbx_helical_symmetry pdbx_point_symmetry pdbx_struct_entity_inst pdbx_struct_oper_list pdbx_struct_assembly pdbx_struct_assembly_gen pdbx_struct_asym_gen pdbx_struct_msym_gen pdbx_struct_legacy_oper_list pdbx_reflns_twin pdbx_struct_info pdbx_re_refinement pdbx_struct_assembly_prop pdbx_struct_ref_seq_feature pdbx_struct_ref_seq_feature_prop pdbx_struct_chem_comp_diagnostics +Added items: _pdbx_helical_symmetry.entry_id _pdbx_helical_symmetry.number_of_operations _pdbx_helical_symmetry.rotation_per_n_subunits _pdbx_helical_symmetry.rise_per_n_subunits _pdbx_helical_symmetry.n_subunits_divisor _pdbx_helical_symmetry.dyad_axis _pdbx_helical_symmetry.circular_symmetry _pdbx_point_symmetry.entry_id _pdbx_point_symmetry.Schoenflies_symbol _pdbx_point_symmetry.H-M_notation _pdbx_point_symmetry.circular_symmetry _pdbx_struct_entity_inst.details _pdbx_struct_entity_inst.entity_id _pdbx_struct_entity_inst.id _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.vector[3] _pdbx_struct_assembly.details _pdbx_struct_assembly.id _pdbx_struct_assembly_gen.entity_inst_id _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_asym_gen.entity_inst_id _pdbx_struct_asym_gen.asym_id _pdbx_struct_asym_gen.oper_expression _pdbx_struct_msym_gen.entity_inst_id _pdbx_struct_msym_gen.msym_id _pdbx_struct_msym_gen.oper_expression _pdbx_struct_legacy_oper_list.id _pdbx_struct_legacy_oper_list.name _pdbx_struct_legacy_oper_list.matrix[1][1] _pdbx_struct_legacy_oper_list.matrix[1][2] _pdbx_struct_legacy_oper_list.matrix[1][3] _pdbx_struct_legacy_oper_list.matrix[2][1] _pdbx_struct_legacy_oper_list.matrix[2][2] _pdbx_struct_legacy_oper_list.matrix[2][3] _pdbx_struct_legacy_oper_list.matrix[3][1] _pdbx_struct_legacy_oper_list.matrix[3][2] _pdbx_struct_legacy_oper_list.matrix[3][3] _pdbx_struct_legacy_oper_list.vector[1] _pdbx_struct_legacy_oper_list.vector[2] _pdbx_struct_legacy_oper_list.vector[3] _pdbx_reflns_twin.diffrn_id _pdbx_reflns_twin.crystal_id _pdbx_reflns_twin.type _pdbx_reflns_twin.operator _pdbx_reflns_twin.fraction _pdbx_reflns_twin.mean_I2_over_mean_I_square _pdbx_reflns_twin.mean_F_square_over_mean_F2 _struct_conn.pdbx_dist_value _pdbx_struct_info.type _pdbx_struct_info.value _pdbx_struct_assembly_prop.details _pdbx_re_refinement.entry_id _pdbx_re_refinement.citation_id _pdbx_re_refinement.details _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details _struct_biol.pdbx_aggregation_state _struct_biol.pdbx_assembly_method _entry.pdbx_DOI _citation.unpublished_flag _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_nat.pdbx_ncbi_taxonomy_id _pdbx_struct_ref_seq_feature.feature_id _pdbx_struct_ref_seq_feature.align_id _pdbx_struct_ref_seq_feature.type _pdbx_struct_ref_seq_feature.details _pdbx_struct_ref_seq_feature.pdb_strand_id _pdbx_struct_ref_seq_feature.asym_id _pdbx_struct_ref_seq_feature.beg_auth_seq_id _pdbx_struct_ref_seq_feature.end_auth_seq_id _pdbx_struct_ref_seq_feature.beg_seq_num _pdbx_struct_ref_seq_feature.end_seq_num _pdbx_struct_ref_seq_feature.beg_auth_mon_id _pdbx_struct_ref_seq_feature.end_auth_mon_id _pdbx_struct_ref_seq_feature.beg_pdb_ins_code _pdbx_struct_ref_seq_feature.end_pdb_ins_code _pdbx_struct_ref_seq_feature_prop.feature_id _pdbx_struct_ref_seq_feature_prop.property_id _pdbx_struct_ref_seq_feature_prop.type _pdbx_struct_ref_seq_feature_prop.value _pdbx_struct_ref_seq_feature_prop.details _pdbx_struct_ref_seq_feature_prop.beg_db_mon_id _pdbx_struct_ref_seq_feature_prop.end_db_mon_id _pdbx_struct_ref_seq_feature_prop.beg_db_seq_id _pdbx_struct_ref_seq_feature_prop.end_db_seq_id |
mmcif_pdbx.dic |
| 1.031 | 2006-08-10 | Changes: (jdw) + Correct typo in new definitions - change _chem_comp_atom.pdbx_model_Cartn_[xyz]_2 to [xyz]_ideal + Add enum for NYSGXRC + Add enum for HOLD FOR 8 WEEKS. |
mmcif_pdbx.dic |
| 1.030 | 2006-06-27 | Changes: (zf) + fixed the alias for _pdbx_refine_tls_group.beg_auth_seq_id item |
mmcif_pdbx.dic |
| 1.029 | 2006-06-12 | Changes: (jdw) + More additions to enumerations for SG sites. + revise enumerations for status codes. |
mmcif_pdbx.dic |
| 1.028 | 2006-05-11 | Changes: (jdw) + Make _chemp_comp.pdbx_replaces a comma separated list. + Adjust enumerations for SG sites |
mmcif_pdbx.dic |
| 1.027 | 2006-05-01 | Changes: (jdw) + add _chemp_comp.pdbx_replaces/pdbx_replaced_by |
mmcif_pdbx.dic |
| 1.026 | 2006-04-27 | Changes: (jdw) + add 4 week enumeration/example for HOLD status items + add pdbx_ordinal items for chem_comp_atom/bond and pdbx_ambiguous_flag to chem_comp. |
mmcif_pdbx.dic |
| 1.025 | 2006-04-18 | Changes: (jdw) + fix data type for _entity_poly.type |
mmcif_pdbx.dic |
| 1.024 | 2006-04-13 | Changes: (jdw) + Correct alias for _struct_site_gen.pdbx_auth_ins_code. + Add enum 'polydeoxyribonucleotide/polyribonucleotide hybrid' to entity_poly.type. + update enums in pdbx_SG_project. |
mmcif_pdbx.dic |
| 1.023 | 2006-03-01 | Changes: (jdw) + Add _pdbx_contact_author.continent + Remove enums for _pdbx_contact_author.country + Added EMDB, TARGETDB, PEPCDB to _pdbx_database_related.db_name examples and associated EM volume, associated NMR restraints, associated structure factors, and associated protein target sequence/protocol data to _pdbx_database_related.content_type. |
mmcif_pdbx.dic |
| 1.022 | 2006-02-24 | Changes: (jdw) + Fixed syntax issues (ie. extra loop_) in items in _pdbx_construct.* + Added missing category groups in standard dictionary section 1. + Fixed category error for item _chem_comp_atom.pdbx_align |
mmcif_pdbx.dic |
| 1.021 | 2005-10-12 | Changes: (jdw) + added categories pdbx_refine_component, pdbx_chem_comp_descriptor, pdbx_chem_comp_identifier, pdbx_chem_comp_import,pdbx_chem_comp_atom_edit, pdbx_chem_comp_bond_edit, and pdbx_chem_comp_audit. + added stereochemistry and aromaticity flags to chem_comp_atom and chem_comp_bond. + added alternate component and atom nomenclature to chem_comp_atom. + added alternate model coordinates to chem_comp_atom category |
mmcif_pdbx.dic |
| 1.020 | 2005-08-23 | Changes: (jdw) + Correct typos in pdbx_feature_monomer. + Correct typos in examples in categories refine and publ_manuscript_incl |
mmcif_pdbx.dic |
| 1.019 | 2005-07-21 | Changes: (jdw) + Added _struct.pdbx_formula_weight and _struct.pdbx_formula_weight_method + Added _refln.pdbx_HL_A_iso, _refln.pdbx_HL_B_iso, _refln.pdbx_HL_C_iso, and _refln.pdbx_HL_D_iso + Added _phasing_set.pdbx_d_res_low/high _pdbx_phasing_MR.native_data_set_id + Added category pdbx_feature_monomer |
mmcif_pdbx.dic |
| 1.018 | 2005-07-14 | Changes: (jdw) + Added PDB_SOLN_SCATTER* definitions + Added _refln.pdbx_[F,I]_[minus,plus] and _refln.pdbx_[F,I]_[minus,plus]_sigma + Extend enumeration for _pdbx_database_status.status_code_sf |
mmcif_pdbx.dic |
| 1.017 | 2005-06-27 | Changes: (BMcM) + added _reflns.threshold_expression and _publ_author.email + numerous minor changes to wordings of definitions to align with mmcif version 2.0.09 as released on International Tables G CD-ROM |
mmcif_pdbx.dic |
| 1.016 | 2005-06-24 | Changes: (jdw) + aliases repointed for items in category pdbx_database_remark + Added the following items: _diffrn_detector.pdbx_frames_total _diffrn_detector.pdbx_collection_time_total _refine.pdbx_ls_sigma_Fsqd _reflns.pdbx_Rmerge_I_all _reflns.pdbx_netI_over_sigmaI _reflns.pdbx_res_netI_over_av_sigmaI_2 _reflns.pdbx_res_netI_over_sigmaI_2 _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _struct_biol.pdbx_formula_weight _struct_biol.pdbx_formula_weight_method _struct_biol_gen.pdbx_PDB_order _phasing_MAD.pdbx_number_data_sets _phasing_MAD.pdbx_anom_scat_method _phasing_MIR.pdbx_number_derivatives _phasing_set.pdbx_temp_details + miscellaneous editorial changes in descriptions and enumerations. |
mmcif_pdbx.dic |
| 1.015 | 2005-04-15 | Changes: (jdw) + remove _entity_keywords.text from category key |
mmcif_pdbx.dic |
| 1.014 | 2005-04-08 | Changes: (jdw) + remove _struct_keywords.text from category key |
mmcif_pdbx.dic |
| 1.013 | 2005-04-05 | Changes: (jdw) + Temporarily remove definitions from Image CIF dictionary + Added mandatory code for _cell.reciprocal_angle_beta + Added mandatory code for _pdbx_entity_nonpoly.entity_id + Fixed category attribute for _reflns_shell.pdbx_chi_squared + Changed mandatory code for _software.citation_id |
mmcif_pdbx.dic |
| 1.012 | 2005-03-29 | Changes: (kh/jdw) + added preliminary set of extensions for macromolecular powder diffraction experiments, including: _pdbx_exptl_pd (category) _pdbx_exptl_pd.entry.id _pdbx_exptl_pd.spec_preparation_pH _pdbx_exptl_pd.spec_preparation_pH_range _pdbx_exptl_pd.spec_preparation _diffrn_radiation.pdbx_analyzer _refine.pdbx_pd_number_of_powder_patterns _refine.pdbx_pd_number_of_points _refine.pdbx_pd_meas_number_of_points _refine.pdbx_pd_proc_ls_prof_R_factor _refine.pdbx_pd_proc_ls_prof_wR_factor _refine.pdbx_pd_Marquardt_correlation_coeff _refine.pdbx_pd_Fsqrd_R_factor _refine.pdbx_pd_ls_matrix_band_width Changes: (fzk) removed 'National Project on Protein Structural and Functional Analyses' from _pdbx_SG_project.full_name_of_center, added 'National Project on Protein Structural and Functional Analyses' to _pdbx_SG_project.project_name |
mmcif_pdbx.dic |
| 1.011 | 2005-03-08 | Changes: (jdw) + Included extensions from mmCIF dictionary... Changes: (fzk) + add _pdbx_refine_tls_group.beg_auth_asym_id + add _pdbx_refine_tls_group.end_auth_asym_id + add enumeration values 'SGC' and 'NPPSFA' for _pdbx_SG_project.initial_of_center + add enumeration values 'Structural Genomics Consortium' and 'National Project on Protein Structural and Functional Analyses' for _pdbx_SG_project.full_name_of_center + fix _item_description.description for _entity_poly.pdbx_target_identifier |
mmcif_pdbx.dic |
| 1.010 | 2005-01-25 | Changes: (jdw) + change mandatory doc for _pdbx_database_status.SG_entry + fix key in category pdbx_database_PDB_obs_spr |
mmcif_pdbx.dic |
| 1.009 | 2005-01-13 | Changes: (zkf) + add _pdbx_database_status.status_code_sf item + add _pdbx_database_status.date_of_sf_release item + add _pdbx_database_status.status_code_mr item + add _pdbx_database_status.date_of_mr_release item + add _pdbx_database_status.SG_entry item + add _entity_poly.pdbx_target_identifier item + add pdbx_SG_project category + fixed enumeration values for _software.language |
mmcif_pdbx.dic |
| 1.008 | 2004-11-15 | Changes: (jdw) + fix typo in category save frame name pdbx_exptl_crystal_grow_comp. |
mmcif_pdbx.dic |
| 1.007 | 2004-11-02 | Changes: (jdw) + added pdbx_entity_prod_protocol, pdbx_exptl_crystal_grow_sol, pdbx_exptl_crystal_grow_comp, and pdbx_exptl_crystal_cryo_treatment categories + relax enumerations in cryo-em dictionary. + remove upper-bound for refine.occupancy_max |
mmcif_pdbx.dic |
| 1.006 | 2004-10-10 | Changes: (jdw) + Update enumerations in cryo-em dictionary. |
mmcif_pdbx.dic |
| 1.005 | 2004-09-28 | Changes: (zkf,jdw) + Add missing pdbx_contact_author.postal_code item + Add missing pdbx_contact_author.city item + Add missing pdbx_contact_author.state_province item + Add enumerations in pdbx_contact_author.id + Modify enumerations in pdbx_contact_author.role |
mmcif_pdbx.dic |
| 1.004 | 2004-08-04 | Changes: (jdw) + Fix many data type errors in phasing section. + Add pdbx_contact_author |
mmcif_pdbx.dic |
| 1.003 | 2004-06-16 | Changes: (jdw) + Fix miscellaneous unresolved links. |
mmcif_pdbx.dic |
| 1.002 | 2004-06-09 | Changes: (jdw) + Added categories PDBX_DOMAIN, PDBX_SEQUENCE_RANGE, PDBX_FEATURE_ENTRY, PDBX_FEATURE_ASSEMBLY, PDBX_FEATURE_DOMAIN, and PDBX_FEATURE_SEQUENCE_RANGE. |
mmcif_pdbx.dic |
| 1.001 | 2004-05-21 | Changes: (jdw) + Fixed incorrect category in _pdbx_audit_author.address + Added _citation.pdbx_database_id_DOI + Fixed placement of _chem_comp.pdbx_align. Moved this item to _chem_comp_atom.pdbx_align |
mmcif_pdbx.dic |
| 1.000 | 2004-04-22 | Changes: (jdw) + New packaging and naming + Integrate 3d em definitions + Relax enumerations to comply with existing legacy data. + Version to 1.000 |
mmcif_pdbx.dic |
| 0.020 | 2003-10-30 | Changes: (jdw/zf) + Fix cases where category keys are not flagged as mandatory + Add category PDBX_AUDIT_AUTHOR |
mmcif_pdbx.dic |
| 0.019 | 2003-09-21 | Changes: (jdw/hy) + Added additional phasing items for PDB_EXTRACT. |
mmcif_pdbx.dic |
| 0.018 | 2003-07-07 | Changes: (jdw) + Integrated protein production data items. |
mmcif_pdbx.dic |
| 0.017 | 2002-10-05 | Changes: (jdw) + Final corrections of recommendations for NMR and X-ray deposition for structural genomics. |
mmcif_pdbx.dic |
| 0.016 | 2002-08-05 | Changes: (jdw) + Add PDBX_AUDIT category. |
mmcif_pdbx.dic |
| 0.015 | 2002-05-22 | Changes: (jdw) + Add PDBX_ENTITY_NONPOLY and fix missing data type codes. |
mmcif_pdbx.dic |
| 0.014 | 2002-02-28 | Changes: (jdw) + Add items for NMR model and PDB insert code to GEOM_BOND, GEOM_ANGLE, GEOM_CONTACT, and GEOM_TORSION categories. |
mmcif_pdbx.dic |
| 0.013 | 2001-07-12 | Changes: (jdw) + enumerations->examples for _pdbx_nmr_representative.selection_criteria and _pdbx_database_related.db_name. + add regex for int and float ranges |
mmcif_pdbx.dic |
| 0.012 | 2001-06-28 | Changes: (jdw) + _atom_site_anisotrop.pdbx_auth_* aliases corrected. + adjust regex for date:time type |
mmcif_pdbx.dic |
| 0.011 | 2001-06-14 | Changes: (jdw) + Moved enumerations to examples for _pdbx_nmr_spectrometer.field_strength + _atom_site.pdb_auth_atom_name data type changed from code to atcode. |
mmcif_pdbx.dic |
| 0.010 | 2001-04-18 | Changes: (jdw) + Added missing _item_type.codes for _refine_hist.number_atoms_solvent _refine_hist.number_atoms_total _refine.overall_SU_B _refine.overall_SU_ML _refine.pdbx_overall_ESU_R + Added CCP4 data items output from REFMAC V5. |
mmcif_pdbx.dic |
| 0.009 | 2001-03-02 | Changes: (jdw) + Added missing mandatory codes and reset aliases for _diffrn_radiation.pdbx_wavelenth_list. |
mmcif_pdbx.dic |
| 0.008 | 2001-01-22 | Changes: (jdw) + Added item _pdbx_database_status.dep_release_code_sequence |
mmcif_pdbx.dic |
| 0.007 | 2000-11-09 | Changes: (jdw) + Added mandatory codes for _exptl_crystal_grow.pdbx_details and _exptl_crystal_grow.pdbx_pH_range. + Added missing data types and category ids in category pdbx_struct_sheet_hbond. + Updated data type for atom name references to atcode. + Updated aliases for _refine.overall_SU_B and _refine.overall_SU_ML. + Trimmed line lengths > 80 characters. |
mmcif_pdbx.dic |
| 0.006 | 2000-10-26 | Changes: (jdw) + Added _exptl_crystal_grow.rcsb_pH_range. + Added category PDBX_STRUCT_SHEET_HBOND to hold single hydrogen bond registration between beta sheet strands. |
mmcif_pdbx.dic |
| 0.005 | 2000-10-25 | Changes: (jdw) + drop category PDBX_DATABASE_REMARK |
mmcif_pdbx.dic |
| 0.004 | 2000-10-24 | Changes: (jdw) + Added optional timestamps to data items. + Repositioned parent items in PDBX_POLY_SEQ_SCHEME. |
mmcif_pdbx.dic |
| 0.003 | 2000-10-16 | Changes: (jdw) + Move enumerations to examples for: _pdbx_nmr_exptl.type _pdbx_nmr_ensemble.conformer_selection_criteria _pdbx_nmr_software.name _struct_keywords.pdbx_keywords + Added _atom_site_anisotrop.pdbx_auth_* items + Added _struct_mon_prot_cis.pdbx_ + Added _struct_conn.pdbx_ptnr3_auth_* items. |
mmcif_pdbx.dic |
| 0.002 | 2000-06-06 | Changes: (jdw) + Added items in refine_hist and exptl_crystal_grow |
mmcif_pdbx.dic |
| 0.001 | 2000-05-23 | Initial revision based on RCSB local dictionaries and EBI database schema. J. Westbrook and J. Ionides |
mmcif_pdbx.dic |
| 4.073 | 2017-04-18 | Changes (ep): + Add WWPDB_LOCAL context for entry.pdbx_DOI |
mmcif_pdbx.dic |
| 4.072 | 2017-04-06 | Changes (ep): + Update archive enumerations for pdbx_nmr_exptl_sample.concentration_units to match deposition enumeration + Extend enumeration for _pdbx_nmr_constraint_file.constraint_subtype ('PRE', 'PRE solvent', 'CSP') |
mmcif_pdbx.dic |
| 4.071 | 2016-03-09 | Changes (ep): + Add category group assignments for pdbx_unobs_or_zero_occ_residues, pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue + Update context values to WWPDB_LOCAL for pdbx_remediation_atom_site_mapping |
mmcif_pdbx.dic |
| 4.070 | 2016-01-19 | Changes (ep/M. Hekkelman): + Correct inconsistent mandatory setting for _atom_site.label_alt_id, _atom_site.label_comp_id, _atom_site.label_atom_id, _diffrn_refln.wavelength_id, _atom_site.label_entity_id, _atom_site.label_seq_id, _refln.wavelength_id, _atom_site.label_asym_id, _struct_conn.ptnr1_label_atom_id, _struct_conn.ptnr2_label_atom_id, _struct_mon_prot_cis.label_alt_id, _struct_site_gen.label_alt_id + Add optional pdbx_nmr_refine.software_ordinal + Add adamantane to _pdbx_nmr_chem_shift_ref.mol_common_name enumeration |
mmcif_pdbx.dic |
| 4.069 | 2016-12-19 | Changes (ep): + Add audit_author.identifier_ORCID + Item context added for audit_author.address |
mmcif_pdbx.dic |
| 4.068 | 2016-09-28 | Changes (ep): + Add range limits for reflns.pdbx_CC_half and reflns_shell.pdbx_CC_half + Add pdbx_deposit_group.group_title and pdbx_deposit_group.group_description |
mmcif_pdbx.dic |
| 4.067 | 2016-09-19 | Changes (ep): + Extend enumeration for pdbx_nmr_chem_shift_ref.mol_common_name to include 'methionine' and 'deuterium oxide' |
mmcif_pdbx.dic |
| 4.066 | 2016-07-05 | Changes (ep): + Change description of reflns.pdbx_CC_half and reflns_shell.pdbx_CC_half to refer to a decimal value. + Include deposit-group-extension with export of _pdbx_deposit_group.group_id + Update enumerations for _pdbx_nmr_chem_shift_ref.atom_group and _pdbx_nmr_exptl_sample_conditions.pH_units + _pdbx_item_linked_group and _pdbx_item_linked_group_list updates for pdbx_chem_comp_model_*, pdbx_struct_special_symmetry and pdbx_deposit_group_index |
mmcif_pdbx.dic |
| 4.065 | 2016-05-24 | Changes (ep): + Add 'dipolar recoupling' and 'spin diffusion' to _pdbx_nmr_constraint_file.constraint_subtype + Update examples for: _pdbx_struct_special_symmetry _pdbx_reference_publication_list _pdbx_nmr_chem_shift_ref _pdbx_nmr_chem_shift_reference _pdbx_reference_entity_poly_link |
mmcif_pdbx.dic |
| 4.064 | 2016-05-03 | Changes (ep): + CAPRI added to _pdbx_database_status.methods_development_category + Correct pdbx_nmr_chem_shift_ref.mol_common_name enumeration + Add RDC to pdbx_nmr_constraint_file.constraint_subtype enumeration |
mmcif_pdbx.dic |
| 4.063 | 2016-03-03 | Changes (cl): + enumeration update for item _em_vitrification.cryogen_name |
mmcif_pdbx.dic |
| 4.062 | 2016-02-09 | Changes (cl): + enumeration update for item _em_imaging.specimen_holder_model |
mmcif_pdbx.dic |
| 4.061 | 2016-02-03 | Changes (jy): + enumeration update for item _pdbx_database_status.methods_development_category |
mmcif_pdbx.dic |
| 4.060 | 2016-01-26 | Changes (cl): + Update enumerations for item _em_entity_assembly.type + Change enumerations to examples for item _em_sample_support.grid_type |
mmcif_pdbx.dic |
| 4.059 | 2015-12-03 | Changes (jdw): + Category context changed for pdbx_nmr_spectral_peak_list |
mmcif_pdbx.dic |
| 4.058 | 2015-10-01 | Changes (jdw): + _pdbx_nmr_systematic_chem_shift_offset.ordinal replaces the natural category key for this category. |
mmcif_pdbx.dic |
| 4.057 | 2015-07-21 | Changes (jdw): + Correct example and item name in category pdbx_chem_comp_model_bond. |
mmcif_pdbx.dic |
| 4.056 | 2015-07-17 | Changes (jdw): + Add chemical component modeling extension categories: pdbx_chem_comp_model_atom, pdbx_chem_comp_model_bond, pdbx_chem_comp_model_feature, pdbx_chem_comp_model_descriptor, pdbx_chem_comp_model_audit, and pdbx_chem_comp_model_reference. |
mmcif_pdbx.dic |
| 4.055 | 2015-06-19 | Changes (jdw): + Enumeration updates for items _pdbx_database_related.content_type and _pdbx_database_status.status_code. + Update examples for _pdbx_database_related.db_name. |
mmcif_pdbx.dic |
| 4.054 | 2015-05-06 | Changes (jdw): + extend data types for _pdbx_nmr_systematic_chem_shift_offset.atom_type +_pdbx_nmr_systematic_chem_shift_offset.val/atom_type made optional |
mmcif_pdbx.dic |
| 4.053 | 2015-04-30 | Changes (jdw): + update enumerations in category pdbx_SG_project |
mmcif_pdbx.dic |
| 4.052 | 2015-02-28 | Changes (jdw): + removed _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero having resolved issues with schema translation and validation issues. |
mmcif_pdbx.dic |
| 4.051 | 2015-02-16 | Changes (jdw): + removed _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero. + restored the above relationship _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero to avoid schema validation issue. |
mmcif_pdbx.dic |
| 4.050 | 2014-11-20 | Changes (jdw): + Update enumeration for item database_2.database_id |
mmcif_pdbx.dic |
| 4.049 | 2014-11-07 | Changes (jdw): + add item _pdbx_database_status.pdb_format_compatible to distinguish large entries not represented in PDB format. |
mmcif_pdbx.dic |
| 4.048 | 2014-09-03 | Changes (PDBx/mmCIF Deposition Working Group,jdw): + Added item _refln.pdbx_r_free_flag suggested by PDBx/mmCIF Deposition Working Group |
mmcif_pdbx.dic |
| 4.047 | 2014-07-29 | Changes (jdw): + add optional data item _struct_ref.pdbx_db_isoform |
mmcif_pdbx.dic |
| 4.046 | 2014-07-10 | Changes (jdw): + update enumerations for item _pdbx_molecule_features.class |
mmcif_pdbx.dic |
| 4.045 | 2014-06-15 | Changes (jdw): + Add item _pdbx_struct_conn_angle.ptnr3_symmetry |
mmcif_pdbx.dic |
| 4.044 | 2014-05-07 | Changes (jdw): + update enumerations in category pdbx_SG_project |
mmcif_pdbx.dic |
| 4.043 | 2014-05-02 | Changes (jdw): + Add items _reflns.pdbx_CC_half, _reflns.pdbx_R_split, _reflns_shell.pdbx_CC_half, _reflns_shell.pdbx_R_split + Items _entity_src_gen.pdbx_src_id, _entity_src_nat.pdbx_src_id _pdbx_entity_src_syn.pdbx_src_id added to category key and set to mandatory code implicit with default value of 1. |
mmcif_pdbx.dic |
| 4.042 | 2014-04-03 | Changes (ep/jdw): + extended enumerations for item - _pdbx_contact_author.id |
mmcif_pdbx.dic |
| 4.041 | 2014-03-28 | Changes (ep/jdw): + Editorial corrections in decriptions for items _refine.pdbx_solvent_vdw_probe_radii, _refine.pdbx_solvent_ion_probe_radii, _refine.pdbx_solvent_shrinkage_radii, and _refine.pdbx_overall_ESU_R_Free |
mmcif_pdbx.dic |
| 4.040 | 2014-02-10 | Changes (jdw): + Added definitions _atom_type.pdbx_scat_Cromer_Mann_a5,_atom_type.pdbx_scat_Cromer_Mann_b5,_refine.pdbx_average_fsc_overall, _refine.pdbx_average_fsc_work,_refine.pdbx_average_fsc_free,_refine_ls_shell.pdbx_fsc_work,_refine_ls_shell.pdbx_fsc_free, _refine_hist.pdbx_number_residues_total,_refine_hist.pdbx_B_iso_mean_ligand,_refine_hist.pdbx_B_iso_mean_solvent, _atom_site_anisotrop.pdbx_PDB_model_num |
mmcif_pdbx.dic |
| 4.039 | 2014-01-17 | Changes (jdw): + Update item descriptions and examples for _pdbx_depui_entity_features.type,_entity_poly.pdbx_target_identifier,_reflns.pdbx_Rsym_value, _refine.pdbx_solvent_vdw_probe_radii,_refine.pdbx_solvent_ion_probe_radii,_citation.pdbx_database_id_DOI,_entity.pdbx_description, and _exptl_crystal_grow.pdbx_details and category pdbx_related_exp_data_set. |
mmcif_pdbx.dic |
| 4.038 | 2014-01-09 | Changes (jdw): + Update enumerations for item _pdbx_database_status.status_code + add category pdbx_related_exp_data_set |
mmcif_pdbx.dic |
| 4.037 | 2013-11-22 | Changes (jdw): + Update context values to WWPDB_LOCAL for categories database_PDB_remark and pdbx_contact_author + Update category group memberships |
mmcif_pdbx.dic |
| 4.036 | 2013-10-17 | Changes (jdw): + change mandatory code for _pdbx_nmr_sample_details.label,_pdbx_nmr_sample_details.type,_pdbx_nmr_exptl_sample_conditions.label, _pdbx_nmr_exptl.spectrometer_id,_pdbx_nmr_exptl.sample_state to no. + Update enumeration for _database_2.database_id + Update enumeration for __pdbx_family_prd_audit.action_type + Update category group assignments for NMR data categories and change context values to WWPDB_LOCAL + Update category group assignments for chemical reference dictionaries: ccd_group and bird_group and bird_family_group. + Added category and items _pdbx_family_group_index.id and _pdbx_family_group_index.family_prd_id + Update category and item item context values in categories audit_contact_author, pdbx_database_proc, pdbx_entity_name, struct_biol_gen, atom_site and pdbx_database_status. + add internal items _pdbx_database_status.date_begin_processing, _pdbx_database_status.date_end_processing, _pdbx_database_status.date_begin_deposition, _pdbx_database_status.date_begin_release_preparation, _pdbx_database_status.date_author_release_request |
mmcif_pdbx.dic |
| 4.035 | 2013-08-27 | Changes (jdw): + Added categories - pdbx_struct_special_symmetry pdbx_reference_publication_list pdbx_nmr_assigned_chem_shift_list pdbx_nmr_chem_shift_experiment pdbx_nmr_chem_shift_ref pdbx_nmr_chem_shift_reference pdbx_nmr_chem_shift_software pdbx_nmr_constraint_file pdbx_nmr_software_task pdbx_nmr_spectral_dim pdbx_nmr_spectral_peak_list pdbx_nmr_spectral_peak_software pdbx_nmr_systematic_chem_shift_offset pdbx_nmr_upload pdbx_audit_support pdbx_chem_comp_subcomponent_struct_conn pdbx_chem_comp_subcomponent_entity_list + Added items: _pdbx_struct_special_symmetry.id _pdbx_struct_special_symmetry.PDB_model_num _pdbx_struct_special_symmetry.auth_asym_id _pdbx_struct_special_symmetry.auth_comp_id _pdbx_struct_special_symmetry.auth_seq_id _pdbx_struct_special_symmetry.PDB_ins_code _pdbx_struct_special_symmetry.label_alt_id _pdbx_struct_special_symmetry.label_asym_id _pdbx_struct_special_symmetry.label_comp_id _pdbx_struct_special_symmetry.label_seq_id _pdbx_reference_publication_list.publication_abbrev _pdbx_reference_publication_list.ASTM_code_type _pdbx_reference_publication_list.ASTM_code_value _pdbx_reference_publication_list.ISSN_code_type _pdbx_reference_publication_list.ISSN_code_value _pdbx_reference_publication_list.country _pdbx_reference_publication_list.start_year _pdbx_reference_publication_list.end_year _pdbx_nmr_assigned_chem_shift_list.chem_shift_13C_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_15N_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_19F_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_1H_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_2H_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_31P_err _pdbx_nmr_assigned_chem_shift_list.chem_shift_reference_id _pdbx_nmr_assigned_chem_shift_list.conditions_id _pdbx_nmr_assigned_chem_shift_list.data_file_name _pdbx_nmr_assigned_chem_shift_list.details _pdbx_nmr_assigned_chem_shift_list.entry_id _pdbx_nmr_assigned_chem_shift_list.error_derivation_method _pdbx_nmr_assigned_chem_shift_list.id _pdbx_nmr_chem_shift_experiment.assigned_chem_shift_list_id _pdbx_nmr_chem_shift_experiment.entry_id _pdbx_nmr_chem_shift_experiment.experiment_id _pdbx_nmr_chem_shift_experiment.experiment_name _pdbx_nmr_chem_shift_experiment.sample_state _pdbx_nmr_chem_shift_experiment.solution_id _pdbx_nmr_chem_shift_ref.atom_group _pdbx_nmr_chem_shift_ref.atom_isotope_number _pdbx_nmr_chem_shift_ref.atom_type _pdbx_nmr_chem_shift_ref.chem_shift_reference_id _pdbx_nmr_chem_shift_ref.chem_shift_units _pdbx_nmr_chem_shift_ref.chem_shift_val _pdbx_nmr_chem_shift_ref.correction_val _pdbx_nmr_chem_shift_ref.entry_id _pdbx_nmr_chem_shift_ref.external_ref_axis _pdbx_nmr_chem_shift_ref.external_ref_loc _pdbx_nmr_chem_shift_ref.external_ref_sample_geometry _pdbx_nmr_chem_shift_ref.indirect_shift_ratio _pdbx_nmr_chem_shift_ref.mol_common_name _pdbx_nmr_chem_shift_ref.rank _pdbx_nmr_chem_shift_ref.ref_correction_type _pdbx_nmr_chem_shift_ref.ref_method _pdbx_nmr_chem_shift_ref.ref_type _pdbx_nmr_chem_shift_ref.solvent _pdbx_nmr_chem_shift_reference.carbon_shifts_flag _pdbx_nmr_chem_shift_reference.details _pdbx_nmr_chem_shift_reference.entry_id _pdbx_nmr_chem_shift_reference.id _pdbx_nmr_chem_shift_reference.label _pdbx_nmr_chem_shift_reference.nitrogen_shifts_flag _pdbx_nmr_chem_shift_reference.other_shifts_flag _pdbx_nmr_chem_shift_reference.phosphorus_shifts_flag _pdbx_nmr_chem_shift_reference.proton_shifts_flag _pdbx_nmr_chem_shift_software.assigned_chem_shift_list_id _pdbx_nmr_chem_shift_software.entry_id _pdbx_nmr_chem_shift_software.software_id _pdbx_nmr_constraint_file.constraint_filename _pdbx_nmr_constraint_file.constraint_number _pdbx_nmr_constraint_file.constraint_subtype _pdbx_nmr_constraint_file.constraint_type _pdbx_nmr_constraint_file.entry_id _pdbx_nmr_constraint_file.id _pdbx_nmr_constraint_file.software_name _pdbx_nmr_constraint_file.software_ordinal _pdbx_nmr_exptl_sample_conditions.details _pdbx_nmr_exptl_sample_conditions.ionic_strength_err _pdbx_nmr_exptl_sample_conditions.ionic_strength_units _pdbx_nmr_exptl_sample_conditions.label _pdbx_nmr_exptl_sample_conditions.pH_err _pdbx_nmr_exptl_sample_conditions.pH_units _pdbx_nmr_exptl_sample_conditions.pressure_err _pdbx_nmr_exptl_sample_conditions.temperature_err _pdbx_nmr_exptl_sample_conditions.temperature_units _pdbx_nmr_exptl.spectrometer_id _pdbx_nmr_exptl.sample_state _pdbx_nmr_sample_details.label _pdbx_nmr_sample_details.type _pdbx_nmr_sample_details.details _pdbx_nmr_software_task.entry_id _pdbx_nmr_software_task.software_ordinal _pdbx_nmr_software_task.task _pdbx_nmr_spectral_dim.id _pdbx_nmr_spectral_dim.atom_type _pdbx_nmr_spectral_dim.atom_isotope_number _pdbx_nmr_spectral_dim.spectral_region _pdbx_nmr_spectral_dim.magnetization_linkage_id _pdbx_nmr_spectral_dim.sweep_width _pdbx_nmr_spectral_dim.encoding_code _pdbx_nmr_spectral_dim.encoded_source_dimension_id _pdbx_nmr_spectral_dim.entry_id _pdbx_nmr_spectral_dim.spectral_peak_list_id _pdbx_nmr_spectral_peak_list.entry_id _pdbx_nmr_spectral_peak_list.id _pdbx_nmr_spectral_peak_list.data_file_name _pdbx_nmr_spectral_peak_list.solution_id _pdbx_nmr_spectral_peak_list.conditions_id _pdbx_nmr_spectral_peak_list.experiment_id _pdbx_nmr_spectral_peak_list.number_of_spectral_dimensions _pdbx_nmr_spectral_peak_list.details _pdbx_nmr_spectral_peak_list.text_data_format _pdbx_nmr_spectral_peak_software.software_id _pdbx_nmr_spectral_peak_software.entry_id _pdbx_nmr_spectral_peak_software.spectral_peak_list_id _pdbx_nmr_spectrometer.details _pdbx_nmr_systematic_chem_shift_offset.type _pdbx_nmr_systematic_chem_shift_offset.atom_type _pdbx_nmr_systematic_chem_shift_offset.atom_isotope_number _pdbx_nmr_systematic_chem_shift_offset.val _pdbx_nmr_systematic_chem_shift_offset.val_err _pdbx_nmr_systematic_chem_shift_offset.entry_id _pdbx_nmr_systematic_chem_shift_offset.assigned_chem_shift_list_id _pdbx_nmr_upload.data_file_id _pdbx_nmr_upload.data_file_name _pdbx_nmr_upload.data_file_category _pdbx_nmr_upload.data_file_syntax _pdbx_nmr_upload.entry_id _pdbx_nmr_assigned_chem_shift_list.label _pdbx_nmr_assigned_chem_shift_list.conditions_label _pdbx_nmr_spectral_peak_list.label _pdbx_nmr_spectral_peak_list.conditions_label _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _pdbx_audit_support.funding_organization _pdbx_audit_support.country _pdbx_audit_support.grant_number _pdbx_audit_support.ordinal _pdbx_chem_comp_subcomponent_struct_conn.id _pdbx_chem_comp_subcomponent_struct_conn.type _pdbx_chem_comp_subcomponent_struct_conn.entity_id_1 _pdbx_chem_comp_subcomponent_struct_conn.entity_id_2 _pdbx_chem_comp_subcomponent_struct_conn.atom_id_1 _pdbx_chem_comp_subcomponent_struct_conn.atom_id_2 _pdbx_chem_comp_subcomponent_struct_conn.comp_id_1 _pdbx_chem_comp_subcomponent_struct_conn.comp_id_2 _pdbx_chem_comp_subcomponent_struct_conn.seq_id_1 _pdbx_chem_comp_subcomponent_struct_conn.seq_id_2 _pdbx_chem_comp_subcomponent_entity_list.id _pdbx_chem_comp_subcomponent_entity_list.parent_comp_id _pdbx_chem_comp_subcomponent_entity_list.type _pdbx_chem_comp_subcomponent_entity_list.class _chem_comp_atom.pdbx_component_entity_id _chem_comp.pdbx_number_subcomponents _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _pdbx_entity_src_syn.pdbx_src_id _pdbx_entity_src_syn.pdbx_alt_source_flag _pdbx_entity_src_syn.pdbx_beg_seq_num _pdbx_entity_src_syn.pdbx_end_seq_num _entity_poly.pdbx_seq_one_letter_code_sample |
mmcif_pdbx.dic |
| 4.034 | 2013-08-08 | Changes (jdw): + updated enumeration for item _pdbx_database_related.content_type |
mmcif_pdbx.dic |
| 4.033 | 2013-07-01 | Changes (jdw): + updated enumeration for item _entity_poly.type |
mmcif_pdbx.dic |
| 4.032 | 2013-06-14 | Changes (jdw): + updated enumeration for item _pdbx_database_related.content_type |
mmcif_pdbx.dic |
| 4.031 | 2013-04-30 | Changes (jdw): + Add category pdbx_validate_polymer_linkage + Adjust mandatory codes for items in category pdbx_contact_author. |
mmcif_pdbx.dic |
| 4.030 | 2013-03-22 | Changes (jdw): + add optional items _pdbx_validate_main_chain_plane.label_alt_id, _pdbx_validate_planes.lable_alt_id, _pdbx_validate_torsion.label_alt_id + update enumerations for _pdbx_reference_molecule.class and _pdbx_molecule_features.class |
mmcif_pdbx.dic |
| 4.029 | 2013-03-01 | Changes (jdw): + add optional item _struct_ref.pdbx_align_end. |
mmcif_pdbx.dic |
| 4.028 | 2013-02-13 | Changes (jdw): + Update description for item _database_PDB_rev.mod_type + Update enumeration content for _pdbx_reference_molecule_family.release_status _pdbx_reference_molecule.release_status |
mmcif_pdbx.dic |
| 4.027 | 2012-12-13 | Changes (cl,eu,jdw): + Update the following EM enumerations - _em_experiment.reconstruction_method: Add "SUBTOMOGRAM AVERAGING" _em_assembly.aggregation_state: Add "HELICAL CRYSTAL" _em_imaging.specimen_holder_model: Add "JEOL 3200FSC CRYOHOLDER" _em_image_scans.scanner_model: Add "PATCHWORK DENSITOMETER" |
mmcif_pdbx.dic |
| 4.026 | 2012-11-30 | Changes (jdw): + Update enumerations for _pdbx_reference_molecule.class/type, _pdbx_reference_entity_list.type |
mmcif_pdbx.dic |
| 4.025 | 2012-11-13 | Changes (jdw): + Update enumerations for _pdbx_family_prd_audit.action_type and _pdbx_prd_audit.action_type + Update enumerations for _pdbx_reference_molecule.class/type, _pdbx_molecule_features.class/type + Update enumerations for _pdbx_chem_comp_identifier.type/program + Add _chem_comp_atom.pdbx_residue_numbering + Add _chem_comp_atom.pdbx_polymer_type + Add _chem_comp_atom.pdbx_ref_id + Add _chem_comp_atom.pdbx_component_id + Update item descriptions within the pdbx_poly_seq_scheme and pdbx_nonpoly_scheme categories. + Update description for _pdbx_struct_assembly_prop.biol_id + Update joint enumerations for _pdbx_reference_molecule.class. + Update enumeration list for _em_imaging.specimen_holder_model |
mmcif_pdbx.dic |
| 4.024 | 2012-08-13 | Changes (jdw): + add category pdbx_distant_solvent_atoms + remove unused categories pdbx_entity_group_list, pdbx_entity_group_components, pdbx_entity_group_instances + add items _pdbx_validate_chiral.auth_atom_id and _pdbx_validate_chiral.label_alt_id + add items _pdbx_validate_rmsd_bond.bond_target_value,_pdbx_validate_rmsd_bond.bond_standard_deviation, _pdbx_validate_rmsd_angle.angle_target_value, _pdbx_validate_rmsd_angle.angle_standard_deviation + add enumeration 'Initial release' to item _pdbx_chem_comp_audit.action_type |
mmcif_pdbx.dic |
| 4.023 | 2012-02-24 | Changes (jdw): + Correct typo in definition for _refine_ls_restr_ncs.pdbx_rms. + Add category pdbx_molecule_features + correct several parent child data type inconsistencies |
mmcif_pdbx.dic |
| 4.022 | 2012-02-03 | Changes (jdw): + Remove parent link from '_struct_ref_seq_dif.db_mon_id' to '_chem_comp.id'. + Remove items:. _pdbx_reference_entity_poly.nstd_chirality _pdbx_reference_entity_poly.nstd_linkage _pdbx_reference_entity_poly.nstd_monomer _pdbx_reference_entity_poly.number_of_monomers _pdbx_reference_entity_poly_seq.insert_code _pdbx_reference_entity_poly_seq.modification_details _pdbx_reference_entity_poly_seq.modified_mon_id _pdbx_reference_entity_list.auth_asym_id _pdbx_reference_molecule_features.citation_id _pdbx_reference_entity_nonpoly.auth_asym_id _pdbx_reference_entity_nonpoly.auth_seq_id _pdbx_reference_entity_nonpoly.label_alt_id _pdbx_reference_entity_nonpoly.PDB_ins_code _pdbx_reference_entity_poly_link.insert_code_1 _pdbx_reference_entity_poly_link.insert_code_2 _pdbx_reference_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_link.nonpoly_res_num_2 + Remove category _pdbx_reference_molecule_instances + Add new items _pdb_reference_molecule.representative_PDB_id_code _pdbx_reference_molecule.release_status _pdbx_reference_molecule.replaces _pdbx_reference_molecule.replaced_by _pdbx_reference_molecule_family.release_status _pdbx_reference_molecule_family.replaces _pdbx_reference_molecule_family.replaced_by _pdbx_reference_entity_src_nat.source_id _pdbx_reference_molecule_details.source_id + Add new category PDBX_MOLECULE to entry files to identify PRD reference molecules: _pdbx_molecule.instance_id _pdbx_molecule.asym_id _pdbx_molecule.prd_id + Rename category - pdbx_reference_entity_poly_nstd_link to pdbx_reference_entity_poly_link this category expanded to include both standard and non-standard linkages. + Update categories pdbx_item_linked_group and pdbx_item_linked_group_list. |
mmcif_pdbx.dic |
| 4.021 | 2012-01-24 | Changes (jdw): + Added _pdbx_database_PDB_obs_spr.details + The following changes have been made to the new PDBX_REFERENCE_ categories - Renamed categories and items: pdbx_reference_entity_details -> pdbx_reference_molecule_details pdbx_reference_entity_feature -> pdbx_reference_molecule_features pdbx_reference_entity_annotatoin -> pdbx_reference_molecule_annotation pdbx_reference_entity_synonyms -> pdbx_reference_molecule_synonyms pdbx_reference_entity_related_structures -> pdbx_reference_molecule_related_structures pdbx_reference_entity_family -> pdbx_reference_molecule_family pdbx_reference_entity_instance -> pdbx_reference_molecule_instances _pdbx_reference_entity_list.component -> _pdbx_reference_entity_list.component_id _pdbx_reference_entity_list.component renamed -> _pdbx_reference_entity_list.component_id _pdbx_reference_entity_poly_nstd_link.component -> _pdbx_reference_entity_poly_nstd_link.component_id Renamed three_letter_code -> chem_comp_id in items: _pdbx_reference_molecule.chem_comp_id _pdbx_reference_entity_nonpoly.chem_comp_id _pdbx_reference_molecule_instancess.chem_comp_id _pdbx_reference_molecule_synonyms.chem_comp_id _pdbx_reference_entity_subcomponents.chem_comp_id _pdbx_reference_molecule_annotation.chem_comp_id _pdbx_reference_molecule_features.chem_comp_id Added audit categories for molecule and family information: pdbx_prd_audit and pdbx_family_prd_audit Added items: _pdbx_reference_molecule_list.family_prd_id _pdbx_reference_molecule_list.prd_id _pdbx_reference_entity_list.auth_asym_id _pdbx_reference_entity_nonpoly.auth_asym_id _pdbx_reference_entity_nonpoly.auth_seq_id _pdbx_reference_entity_nonpoly.PDB_ins_code _pdbx_reference_entity_nonpoly.label_auth_id _pdbx_reference_molecule.type_evidence_code _pdbx_reference_molecule.class_evidence_code Removed provisional categories - pdbx_reference_entity_group pdbx_reference_entity_group_components pdbx_reference_entity_group_components pdbx_reference_entity_grouping Removed provisional items - _pdbx_reference_molecule.family_prd_id _pdbx_reference_entity_list.family_prd_id _pdbx_reference_entity_nonpoly.family_prd_id _pdbx_reference_molecule_instancess.family_prd_id _pdbx_reference_molecule_instancess.PDB_chain_id_list _pdbx_reference_molecule_instancess.PDB_residue_number _pdbx_reference_entity_subcomponents.family_prd_id _pdbx_reference_entity_link.family_prd_id _pdbx_reference_entity_poly.family_prd_id _pdbx_reference_entity_poly_seq.family_prd_id _pdbx_reference_entity_sequence.family_prd_id _pdbx_reference_entity_src_nat.family_prd_id _pdbx_reference_entity_poly_nstd_link.family_prd_id |
mmcif_pdbx.dic |
| 4.020 | 2012-01-04 | Changes (jdw): + Revise enumerations for category pdbx_sg_project. |
mmcif_pdbx.dic |
| 4.019 | 2011-12-13 | Changes (jdw): + Revise enumerations for item _pdbx_coordinate_model.type + Update enumerations for pdbx_sg_projects category. + Added item _pdbx_database_status.methods_development_category + Update examples for _pdbx_database_related.db_name |
mmcif_pdbx.dic |
| 4.018 | 2011-11-29 | Changes (jdw): + Restore provisional data data items: _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_list.component _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_link.nonpoly_res_num_2 _pdbx_reference_entity_link.link_class _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_poly_nstd_link.insert_code_1 _pdbx_reference_entity_poly_nstd_link.insert_code_2 _pdbx_reference_entity_poly_seq.parent_mon_id _pdbx_reference_entity_poly_seq.insert_code _pdbx_reference_entity_poly_seq.modification_details + _pdbx_reference_entity_list.component made part of key + _pdbx_reference_entity_poly_nstd_link.component made part of key + _pdbx_reference_entity_sequence.family_prd_id added to key + _pdbx_reference_entity_sequence.prd_id added to key + _pdbx_reference_entity_sequence.ref_entity_id added to key + _pdbx_reference_entity_poly_seq.mon_id restored in key + _pdbx_reference_entity_poly_seq.num boundary remove boundary conditions. |
mmcif_pdbx.dic |
| 4.017 | 2011-11-11 | Changes (jdw): + update enumerations for _chem_comp.pdbx_processing_site |
mmcif_pdbx.dic |
| 4.016 | 2011-10-21 | Changes (jdw): + Added item _pdbx_reference_entity_poly_seq.observed + Added item _pdbx_reference_entity_poly_seq.hetero + Corrected typos in the defintions of _pdbx_reference_entity_annotation.source and _pdbx_struct_group_components.PDB_model_num + correct data type and parent references for _pdbx_struct_group_components.auth_comp_id, _pdbx_struct_group_component_range.beg_auth_comp_id, and _pdbx_struct_group_component_range.end_auth_comp_id |
mmcif_pdbx.dic |
| 4.015 | 2011-09-14 | Changes (jdw): + Update enumerations for pdbx_sg_projects category. |
mmcif_pdbx.dic |
| 4.014 | 2011-08-29 | Changes (jdw): + correct typo in enumerations for item _pdbx_struct_group_list.type. |
mmcif_pdbx.dic |
| 4.013 | 2011-07-22 | Changes (jdw): + Update enumerations for pdbx_sg_projects category. |
mmcif_pdbx.dic |
| 4.012 | 2011-07-11 | Changes (jdw): + removed trailing space in enumeration of value for _pdbx_version.revision_type |
mmcif_pdbx.dic |
| 4.011 | 2011-06-14 | Changes (jdw): + update enumeration for _database_2.database_id |
mmcif_pdbx.dic |
| 4.010 | 2011-06-07 | Changes (jdw): + data type relaxed from line to text for -_chem_comp.pdbx_synonym _chem_comp.pdbx_modification_details. + add FLUORESCENCE TRANSFER/'FLUORESCENCE TRANSFER only as a supporting method' to _exptl.method enumeration list. |
mmcif_pdbx.dic |
| 4.009 | 2011-06-01 | Changes (jdw): + update enumerations for _pdbx_chem_comp_audit.action_type' |
mmcif_pdbx.dic |
| 4.008 | 2011-05-27 | Changes (jdw & ak): + correct typo in enumeration for _pdbx_struct_group_list.type + correct typo in example for _em_vitrification.time_resolved_state + correct typo in definition of _pdbx_struct_group_component_range.PDB_model_num + correct typo in example for _reflns.phase_calculation_details + remove redunant information in the following items _pdbx_atom_site_aniso_tls.auth_comp_id, _pdbx_struct_conn_angle.ptnr1_label_alt_id, _pdbx_struct_conn_angle.ptnr2_label_alt_id, and _pdbx_reference_entity_annotation.source + update enumerations for _pdbx_SG_project.project_name + update enumerations for _pdbx_SG_project.full_name_of_center |
mmcif_pdbx.dic |
| 4.007 | 2011-05-13 | Changes (jdw): + _exptl.method enumeration and details extended with 'THEORETICAL MODEL' 'THEORETICAL MODEL only as a supporting method' + added new items -_refln.pdbx_FWT,_refln.pdbx_DELFWT,_refln.pdbx_PHWT, and _refln.pdbx_DELPHWT + updated examples for _symmetry.space_group_name_H-M + add _refine_ls_restr.pdbx_refine_id to category key + add item pdbx_version.revision_type as key item in this category + _pdbx_version.minor_version data type changed to code. + update aliases for _pdbx_database_status.status_code_cs + add enumerations for _pdbx_version.revision_type + update enumerations for PSI centers - + extended enumeratio for _refine.pdbx_TLS_residual_ADP_flag + _em_imaging.microscope_id made optional - + relax parent child relationship for _pdbx_remediation_atom_site_mapping.auth_alt_id |
mmcif_pdbx.dic |
| 4.006 | 2011-04-21 | Changes: (jdw): + updated enumeration list for _pdbx_SG_project items. |
mmcif_pdbx.dic |
| 4.005 | 2011-04-19 | Changes: (jdw): + Add item _pdbx_reference_entity_poly_seq.modification_details |
mmcif_pdbx.dic |
| 4.004 | 2011-04-13 | Changes: (jdw): + The roles of _pdbx_reference_entity_poly_seq.modified_mon_id and _pdbx_reference_entity_poly_seq.mon_id swapped. + _pdbx_reference_entity_poly_seq.modified_mon_id removed + _pdbx_reference_entity_poly_seq.parent_mon_id added as an optional item for the parent items in ribosomal proteins. + _pdbx_reference_entity_poly_seq.mon_id made mandatory and part of key + corrected examples link examples with bond orders = 'sing' + relax the comma separated item data type + add famil_prd_id and ref_entity_id to the category key of pdbx_entity_reference_sequence |
mmcif_pdbx.dic |
| 4.003 | 2011-04-13 | Changes: (jdw): + removed duplicate _pdbx_reference_entity_poly_seq.hetero definition + Changed the lower limit for _pdbx_reference_entity_poly_seq.num to include 0 |
mmcif_pdbx.dic |
| 4.002 | 2011-04-08 | Changes: (jdw): + Added items - _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_poly_seq.hetero |
mmcif_pdbx.dic |
| 4.001 | 2011-04-07 | Changes: (jdw): + Added items - _pdbx_reference_entity_list.component _pdbx_reference_entity_entity_link.link_class _pdbx_reference_entity_entity_link.entity_seq_num_1 _pdbx_reference_entity_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_entity_link.entity_seq_num_2 _pdbx_reference_entity_entity_link.nonpoly_res_num_2 |
mmcif_pdbx.dic |
| 4.000 | 2011-04-06 | Changes (jdw): + Release as provision version 4.000 |
mmcif_pdbx.dic |
| 3.316 | 2011-04-05 | Changes (jdw): + Added non-standard polymer linking details in category PDBX_REFERENCE_ENTITY_POLY_NSTD_LINK + Added _pdbx_reference_entity_list.nonpoly_residue_number + Changed the representative flag item name to _pdbx_reference_entity_instances.prd_representative_flag. + Added instance level nonpolymer residue preference, _pdbx_entity_group_components.nonpoly_residue_number |
mmcif_pdbx.dic |
| 3.315 | 2011-03-31 | Changes (jdw): + Add comma separated data type ucode-alphanum-csv + Revised with additional categories to capture entity level details. PDBX_REFERENCE_ENTITY_LIST PDBX_REFERENCE_ENTITY_NONPOLY PDBX_REFERENCE_ENTITY_LINK ref_entity_id incorporated as an additional key where appropriate. _pdbx_reference_entity_list.ref_entity_id _pdbx_reference_entity_nonpoly.ref_entity_id _pdbx_reference_entity_link.ref_entity_id_1 _pdbx_reference_entity_poly.ref_entity_id _pdbx_reference_entity_poly_seq.ref_entity_id _pdbx_reference_entity_sequence.ref_entity_id + New categories to be included within PDB entries -- PDBX_ENTITY_GROUP_LIST and PDBX_STRUCT_GROUP_LIST and related categories are provided to map entity level information to the copies in the deposited coordinates. PDBX_ENTITY_GROUP_INSTANCES is provided to map entity-level molecular definitions to coordinate observations in the PDBX_STRUCT_GROUP_LIST. |
mmcif_pdbx.dic |
| 3.314 | 2011-03-24 | Changes (jdw): + updated enumeration list for _pdbx_SG_project.project_name. |
mmcif_pdbx.dic |
| 3.313 | 2011-02-21 | Changes (jdw): + Added categories pdbx_entity_group and pdbx_entity_group_components |
mmcif_pdbx.dic |
| 3.312 | 2011-02-03 | Changes (jdw): + Removed _chem_comp.type 'Iso-peptide linking' enumeration and replaced this with - 'L-gamma-peptide, C-delta linking', 'D-gamma-peptide, C-delta linking', 'L-beta-peptide, C-gamma linking', and 'D-beta-peptide, C-gamma linking'. |
mmcif_pdbx.dic |
| 3.311 | 2011-01-25 | Changes (jdw): + Added new category pdbx_struct_comp_nstd_link. + Added _chem_comp.type 'Iso-peptide linking' enumeration. |
mmcif_pdbx.dic |
| 3.310 | 2010-11-29 | Changes (jdw): Added new categories for PRD - pdbx_reference_entity_group, pdbx_reference_entity_group_components, and pdbx_reference_entity_grouping |
mmcif_pdbx.dic |
| 3.309 | 2010-11-22 | Changes (jdw): +parent for _pdbx_remediation_atom_site_mapping.auth_alt_id removed. |
mmcif_pdbx.dic |
| 3.308 | 2010-11-19 | Changes (jdw): + Added __reflns.phase_calculation_details from the v3.2 dictionary + Replaced _refine.pdbx_adp_type with _refine.pdbx_TLS_residual_ADP_flag |
mmcif_pdbx.dic |
| 3.307 | 2010-09-30 | Changes (jdw): + change data type for _chem_comp.name from line to text. + add pdbx_entity_reference_family category and add pdbx_entity_reference_family.family_prd_id as a part of key in pdbx_entity_reference* categories. + _pdbx_reference_entity_poly.db_code and _pdbx_reference_entity_poly.db_name |
mmcif_pdbx.dic |
| 3.306 | 2010-09-24 | Changes (jdw): + _chem_comp.pdbx_processing_site enumerations revised to 'PDBE' 'PDBJ' 'RCSB' + pdbx_chem_comp_atom_feature category + data type for _chem_comp.one_letter_code changed from uchar1 to ucode to handle components derived from multiple parent components and chromophores. + standardized enumerations for _pdbx_database_status.process_site and deposit_site. + _chem_comp.pdbx_release_status enumeration extended with REF_ONLY to identify reference components. |
mmcif_pdbx.dic |
| 3.305 | 2010-09-16 | Changes (jdw): + Data type for _pdbx_chem_comp_audit.action_type changed from code to line. + Enumerations details corrected for _chem_comp_bond.pdbx_stereo_config |
mmcif_pdbx.dic |
| 3.304 | 2010-08-02 | Changes (jdw): + Updated enumerations for item _pdbx_chem_comp_audit.action_type and the example for this category. |
mmcif_pdbx.dic |
| 3.303 | 2010-06-29 | Changes (jdw): + Added items for fiber diffraction data collection - _refln.pdbx_fiber_layer, _refln.pdbx_fiber_coordinate, _refln.pdbx_fiber_F_meas_au |
mmcif_pdbx.dic |
| 3.302 | 2010-06-16 | Changes (jdw): + _exptl.method - updated enumerations and details 'INFRARED SPECTROSCOPY' 'IR and FTIR only as supporting methods' 'EPR' 'EPR only as a supporting method' |
mmcif_pdbx.dic |
| 3.301 | 2010-06-10 | Changes (jdw): + Change to ordinal key in category REFLNS adding pdbx_ordinal. + Admit multiple comma separated values for child items of pdbx_diffrn_id. + added - _pdbx_database_status.date_hold_chemical_shifts _pdbx_database_status.date_chemical_shifts _pdbx_database_status.recvd_chemical_shifts _pdbx_database_status.dep_release_code_chemical_shifts _pdbx_database_status.date_of_cs_release _pdbx_database_status.status_code_cs |
mmcif_pdbx.dic |
| 3.300 | 2010-06-04 | PRELIMINARY DICTIONARY SUPPORT V3.3 FORMAT (jdw): + added _refine.pdbx_adp_type - to differentiate entries containing mark residual or full temperature factors + Modified _atom_site.B_iso_or_equiv definition modified to reflect new type information in _refine.pdbx_adp_type + Change _refln.wavelength_id mandatory code to NO (optional) + Change _diffrn_refln.wavelength_id mandatory code to NO (optional) + Change _refln.crystal_id mandatory code to NO (optional) + Change _refln.scale_group_code mandatory code to NO (optional) + Change _diffrn_radiation.wavelength_id mandatory code to NO (optional) + Add _diffrn_radiation.pdbx_scattering_type + Add _refln.pdbx_diffrn_id as optional child item of _diffrn.id + Add _reflns.pdbx_diffrn_id as optional child of item _diffrn.id + Add _refine.pdbx_diffrn_id as optional child of item _diffrn.id + Add _reflns_shell.pdbx_ordinal as ordinal category key for reflns_shell category. + Add _reflns_shell.pdbx_diffrn_id as optional child of item _diffrn.id + Deprecate catetory PDBX_DIFFRN_REFLNS_SHELL + Change category key for REFLNS to _reflns.pdbx_diffrn_id + Change cateogry key for REFLNS_SHELL to _reflns_shell.pdbx_ordinal |
mmcif_pdbx.dic |
| 1.0676 | 2010-06-03 | Changes (jdw): + revisions for peptide reference dictionary in the pdbx_reference_entity_* category hierarchy. + added _pdbx_entity_src_syn.strain. + added _atom_site.pdbx_auth_asym_id,_atom_site.pdbx_auth_comp_id, _atom_site.pdbx_auth_seq_id + updated examples for the pdbx_reference_entity_* categories - + added category pdbx_reference_entity_sequence + added item _pdbx_reference_entity_instances.published_name + removed unused item _pdbx_reference_entity_feature.support + added _pdbx_reference_entity_feature.source_ordinal _pdbx_reference_entity_src_nat.source _pdbx_reference_entity.class _pdbx_reference_entity_related_structures.db_accession + renamed items in pdbx_reference_entity_related_structures category - _pdbx_reference_entity_related_structures.db_name _pdbx_reference_entity_related_structures.db_code + add category pdbx_bond_distance_limits + remove _pdbx_reference_entity_poly_seq.mon_id from category key + added items - _pdbx_reference_entity_instances.auth_asym_id _pdbx_reference_entity_instances.auth_seq_id _pdbx_reference_entity_instances.label_alt_id _pdbx_reference_entity_instances.PDB_ins_code _pdbx_reference_entity_instances.published_subcomponent + Added REFI to enumerations for _pdbx_database_status.status_code and _pdbx_database_status.release_status_code |
mmcif_pdbx.dic |
| 1.0675 | 2010-02-04 | Changes (jdw): + update aliases to local dictionaries + added _pdbx_soln_scatter_model.representative_conformer + added _pdbx_remediation_atom_site_mapping.occupancy + added _pdbx_remediation_atom_site_mapping.pre_occupancy + added enumeration 'tetartohedral' for _pdbx_reflns_twin.type + added _struct.pdbx_CASP_flag + added items for latest version of Buster. _refine.pdbx_overall_SU_R_free_Cruickshank_DPI _refine.pdbx_overall_SU_R_Blow_DPI _refine.pdbx_overall_SU_R_free_Blow_DPI _refine_ls_restr.pdbx_restraint_function |
mmcif_pdbx.dic |
| 1.0674 | 2009-10-28 | Changes (jdw): + Add _pdbx_validate_planes.type enumerations for 'SIDE CHAIN' and 'MAIN CHAIN' and deprecate values that contained underscores (e.g. MAIN_CHAIN). Update data type and category examples. + Added _pdbx_chem_comp_audit.processing_site and _pdbx_chem_comp_audit.details + Update enumerations for _pdbx_chem_comp_audit.action_type. + Added _pdbx_remediation_atom_site_mapping.auth_alt_id,_pdbx_remediation_atom_site_mapping.auth_asym_id, _pdbx_remediation_atom_site_mapping.auth_atom_id,_pdbx_remediation_atom_site_mapping.auth_comp_id, _pdbx_remediation_atom_site_mapping.auth_seq_id |
mmcif_pdbx.dic |
| 1.0673 | 2009-07-23 | Changes (jdw): + Complete missing definition elements for chem_comp_atom.type_symbol and remove parent-child for this item which is not supported in the current packaging of the chemical components dictionary. + Add _chem_comp.type's for 'L-RNA linking' 'L-DNA linking' |
mmcif_pdbx.dic |
| 1.0672 | 2009-06-02 | Changes (jdw): + Add category pdbx_remediation_atom_site_mapping + update internal tables of link relationships + minor typographical corrections in several examples. |
mmcif_pdbx.dic |
| 1.0671 | 2009-05-12 | Changes (jdw): + Add '_struct_conn.pdbx_value_order' |
mmcif_pdbx.dic |
| 1.0670 | 2009-03-13 | Changes (jdw): + Add '_refine_ls_restr_ncs.pdbx_ordinal' as new category key for this category. + Add '_refine_ls_restr_ncs.pdbx_auth_asym_id' as new category key for this category. + Add optional identifier _pdbx_refine_component.PDB_ins_code. + Make '_atom_sites_alt.id' child of '_atom_site.label_alt_id' to avoid unspecified parent identifier issue with this item. + Update missing values in category examples accross the dictionary. + _pdbx_struct_assembly.oligomeric_details enumeration suppressed. + _pdbx_database_related.content_type - added enumeration 're-refinement' + Examples for _exptl.method promoted to an enumeratation. + added optional item _pdbx_struct_assembly_gen.auth_asym_id_list + _pdbx_refine_tls_group.selection enumerations changed to examples, type changed to line. |
mmcif_pdbx.dic |
| 1.0669 | 2009-01-16 | Changes (jdw): Add _struct_site.pdbx_evidence_code. |
mmcif_pdbx.dic |
| 1.0668 | 2008-12-17 | Changes (jdw): + update descriptions for _chem_comp.three_letter_code and _chem_comp.one_letter_code. + fix alias definiftion for _pdbx_nmr_exptl_sample.concentration_range. |
mmcif_pdbx.dic |
| 1.0667 | 2008-12-11 | Changes (jdw): + Add enumeration for InChIKey to _pdbx_chem_comp_descriptor.type + Add - 120-meric 180-meric 240-meric 62-meric 108-meric to oligomeric_details + Add viral symmetry descriptions to oligomeric_details: cyclic tetrahedral dihedral octahedral icosahedral to oligomeric_details + Add pseudo-merohedral to _pdbx_reflns_twin.type enumeration + Add item _pdbx_struct_assembly.oligomeric_count which provides integer count of the members of the assembly corresponding to the text description in oligomeric_details. + Add item _pdbx_struct_oper_list.symmetry_operation to hold symop in (x,y,z) format. + _pdbx_entity_src_gen.ncbi_taxonomy_id, _pdbx_entity_src_gen.organism_scientific and _pdbx_entity_src_gen.organism_common_name added to capture biological origin of synthetic molecule. Updates in EM data items: (cb,cl,jw): + Modified the data type code - change "line" to "text": _em_assembly.composition _em_assembly.name _em_3d_fitting.software_name _em_entity_assembly.ebi_expression_system _em_vitrification.instrument _em_imaging.specimen_holder_type + Inserted missing items. _em_3d_reconstruction.euler_angles_details _em_3d_reconstruction.num_class_averages _em_3d_reconstruction.software _em_entity_assembly.mutant_flag _em_entity_assembly.number_of_copies _em_entity_assembly.oligomeric_details _em_imaging.astigmatism _em_imaging.electron_beam_tilt_params + Added "NONE" to the enumeration list for _em_vitrification.cryogen_name + Added "OTHER" to the enumeration list for _em_virus_entity.virus_isolate + Updated enumeration list for _em_image_scans.scanner_model 'NIKON SUPER COOLSCAN 9000' 'NIKON COOLSCAN' 'PRIMESCAN' 'IMAGE SCIENCE PATCHWORK DENSITOMETER' 'EIKONIX IEEE 488' + Updated enumeration list for _em_imaging.specimen_holder_model _item_enumeration.value 'JEM3200FSC CRYOHOLDER' 'PHILIPS ROTATION HOLDER' 'HOME BUILD' 'JEOL' 'SIDE ENTRY, EUCENTRIC' + Updated the enumeration list for _em_microscope.model: _item_enumeration.value 'JEM2200FS' 'JEM3200FSC' 'PHILIPS EM400' 'PHILIPS EM420' 'JEOL 1200EX II' 'FEI TECNAI G20' 'ZEISS LEO 912' 'TECNAI G2' + Added the following items for the polymer reference dictionary. These items will appear only in the polymer reference dictionary, and not in any PDB entry data files. + Unused category _pdbx_entity_annotation renamed to _pdbx_reference_entity_annoation. _pdbx_reference_entity.id _pdbx_reference_entity.description _pdbx_reference_entity.details _pdbx_reference_entity.formula_weight _pdbx_reference_entity.formula_weight _pdbx_reference_entity.formula _pdbx_reference_entity.type _pdbx_reference_entity.name _pdbx_reference_entity.represent_as _pdbx_reference_entity.3-letter-code _pdbx_reference_entity_synonyms.entity_id _pdbx_reference_entity_synonyms.name _pdbx_reference_entity_components.entity_id _pdbx_reference_entity_components.names _pdbx_reference_entity_poly.entity_id _pdbx_reference_entity_poly.nstd_chirality _pdbx_reference_entity_poly.nstd_linkage _pdbx_reference_entity_poly.nstd_monomer _pdbx_reference_entity_poly.number_of_monomers _pdbx_reference_entity_poly.type _pdbx_reference_entity_poly_seq.entity_id _pdbx_reference_entity_poly_seq.mon_id _pdbx_reference_entity_poly_seq.num _pdbx_reference_entity_poly_seq.nstd_mon_parent_id _pdbx_reference_entity_annotation.entity_id _pdbx_reference_entity_annotation.text _pdbx_reference_entity_annotation.type _pdbx_reference_entity_annotation.support _pdbx_reference_entity_annotation.source _pdbx_reference_entity_feature.entity_id _pdbx_reference_entity_feature.type _pdbx_reference_entity_feature.support _pdbx_reference_entity_feature.value _pdbx_reference_entity_feature.source _pdbx_reference_entity_src_nat.entity_id _pdbx_reference_entity_src_nat.organism_scientific _pdbx_reference_entity_src_nat.strain |
mmcif_pdbx.dic |
| 1.0666 | 2008-11-25 | + make _struct_mon_prot_cis.pdbx_id ordinal key for this category. |
mmcif_pdbx.dic |
| 1.0665 | 2008-11-21 | + change oligomeric_details enumerations from -mer to -meric |
mmcif_pdbx.dic |
| 1.0664 | 2008-11-17 | + add additional enumerations for oligomeric_details + add _exptl.method to category key. |
mmcif_pdbx.dic |
| 1.0663 | 2008-11-12 | + add enumeration for oligomeric_details + added items - _exptl_crystal.pdbx_mosaicity _exptl_crystal.pdbx_mosaicity_esd _reflns_shell.pdbx_rejects _diffrn_reflns.pdbx_d_res_low _diffrn_reflns.pdbx_d_res_high _diffrn_reflns.pdbx_percent_possible_obs _diffrn_reflns.pdbx_Rmerge_I_obs _diffrn_reflns.pdbx_Rsym_value _diffrn_reflns.pdbx_chi_squared _diffrn_reflns.pdbx_redundancy _diffrn_reflns.pdbx_rejects _diffrn_reflns.pdbx_observed_criterion _diffrn_reflns.pdbx_number_obs _pdbx_diffrn_reflns_shell.diffrn_id _pdbx_diffrn_reflns_shell.d_res_low _pdbx_diffrn_reflns_shell.d_res_high _pdbx_diffrn_reflns_shell.percent_possible_obs _pdbx_diffrn_reflns_shell.Rmerge_I_obs _pdbx_diffrn_reflns_shell.Rsym_value _pdbx_diffrn_reflns_shell.chi_squared _pdbx_diffrn_reflns_shell.redundancy _pdbx_diffrn_reflns_shell.rejects _pdbx_diffrn_reflns_shell.number_obs |
mmcif_pdbx.dic |
| 1.0662 | 2008-11-10 | Changes (jdw): + remove spaces from enumerations in pdbx_reflns_twin.operator. |
mmcif_pdbx.dic |
| 1.0661 | 2008-10-31 | Changes (jdw): Added enum 'Medical Structural Genomics of Pathogenic Protozoa' /MSGPP |
mmcif_pdbx.dic |
| 1.0660 | 2008-10-30 | Changes (jdw): + add _audit_author.pdbx_ordinal and make this category key for this audit_author category. + allow whitespace for all entity_src_gen.*taxonomy_id items. + add _pdbx_struct_assembly.oligomeric_details |
mmcif_pdbx.dic |
| 1.0659 | 2008-10-23 | Changes (jdw): + add _chem_comp.type 'peptide linking' |
mmcif_pdbx.dic |
| 1.0658 | 2008-10-15 | Changes (jdw): + added _reflns.pdbx_number_measured_all. |
mmcif_pdbx.dic |
| 1.0657 | 2008-10-08 | Changes (jdw): + add _atom_site.pdbx_formal_charge |
mmcif_pdbx.dic |
| 1.0656 | 2008-10-04 | Changes (jdw): +add _pdbx_nmr_exptl_sample.concentration_range |
mmcif_pdbx.dic |
| 1.0655 | 2008-10-03 | Changes (jdw): + add _software.pdbx_ordinal and _pdbx_nmr_software.ordinal and make these category keys in these categories. + set _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id type to line |
mmcif_pdbx.dic |
| 1.0654 | 2008-09-18 | Changes (jdw): + adjust enumeratiom for _pdbx_database_related.content_type |
mmcif_pdbx.dic |
| 1.0653 | 2008-09-17 | Changes (jdw): + Remove parent item for _refine_hist.pdbx_refine_id |
mmcif_pdbx.dic |
| 1.0652 | 2008-09-12 | Changes (jdw): + add _pdbx_reflns_twin.domain_id + add _pdbx_reflns_twin.operator to category key + adjust mandatory codes in pdbx_reflns_twin |
mmcif_pdbx.dic |
| 1.0651 | 2008-09-04 | Changes: (jdw) + Removed item_linked constraints on author identifiers and residue ranges in pdbx_refine_tls_group. Residue ranges treated as author provided parameters used for program input not necessarily corresponding to observed residues in the deposited entry. + Added _pdbx_refine_tls_group.selection_details to capture text description of TLS selection group. + Simplified category key for struct_ncs_dom_lim. + Added struct_ncs_dom_lim.selection_details + Updated examples for _exptl.method + Relax data type _refine.pdbx_refine_id and all of its children. + Make _struct_ncs_dom_lim.label_alt_id optional + Correct alias on _pdbx_refine.pdbx_refine_id |
mmcif_pdbx.dic |
| 1.064 | 2008-09-03 | Changes: (jdw) + Add category pdbx_atom_site_aniso_tls + Add category pdbx_struct_chem_comp_feature |
mmcif_pdbx.dic |
| 1.063 | 2008-08-26 | Changes: (jdw) + added pdbx_refine_id to the following category keys to distinguish joint refinement methods: refine refine_analyze refine_hist refine_ls_restr refine_ls_restr_ncs refine_ls_shell pdbx_refine_tls pdbx_refine_tls_group pdbx_refine pdbx_xplor_file pdbx_refine_aux_file |
mmcif_pdbx.dic |
| 1.062 | 2008-08-19 | Changes: (jdw) + Added _pdbx_poly_seq_scheme.hetero |
mmcif_pdbx.dic |
| 1.061 | 2008-08-15 | Changes: (jdw): + Add _pdbx_entity_annotation.source, _pdbx_chem_comp_feature.support + Make _pdbx_entity_annotation.text part of category key + Correct typo in enumeration in _pdbx_reflns_twin.type + Add enumerations for antibiotics to _entity.type and _entity_poly.type. |
mmcif_pdbx.dic |
| 1.060 | 2008-07-30 | Changes: (jdw): + update enumerations in _pdbx_database_related.content_type with 'split entry' + _pdbx_database_related.content_type added to key of this category. |
mmcif_pdbx.dic |
| 1.059 | 2008-07-27 | Changes: (jdw): + correct item_link for _pdbx_validate_chiral.auth_comp_id |
mmcif_pdbx.dic |
| 1.058 | 2008-07-25 | Changes: (jdw): + _pdbx_nmr_refine.method made optional: + adjust data type regular expression for ec-type + add _chem_comp_atom.pdbx_component_atom_id + add _chem_comp_atom.pdbx_component_comp_id + add _chem_comp_atom.pdbx_subcomponent_list + added _pdbx_chem_comp_feature.comp_id, _pdbx_chem_comp_feature.type, _pdbx_chem_comp_feature.value and _pdbx_chem_comp_feature.source + _chem_comp.type added enumeration - 'peptide-like' + added _pdbx_coordinate_model.asym_id and _pdbx_coordinate_model.type + _reflns_shell.d_res_low _refine_ls_shell.d_res_low removed from key + _pdbx_nmr_software.authors made type text + _phasing_MAD_clust.id made type line + _phasing_MAD_expt.id made type line + add enumerations for sg projects + addjust parent child relationships for refine_ls_restr_ncs |
mmcif_pdbx.dic |
| 1.057 | 2008-07-18 | Changes: (jdw): Added - _struct.pdbx_model_type_details |
mmcif_pdbx.dic |
| 1.056 | 2008-07-16 | Changes: (jdw/cl) Added items: _em_experiment.entry_id _em_experiment.reconstruction_method _em_experiment.specimen_type _em_single_particle_entity.entry_id _em_single_particle_entity.symmetry_type Updated enumerations for: _em_assembly.aggregation_state |
mmcif_pdbx.dic |
| 1.055 | 2008-06-20 | Changes: (jdw) Make the following items made optional - _pdbx_struct_assembly_prop.details _ndb_struct_na_base_pair.i_PDB_ins_code _ndb_struct_na_base_pair.j_PDB_ins_code _ndb_struct_na_base_pair_step.i_PDB_ins_code_1 _ndb_struct_na_base_pair_step.j_PDB_ins_code_1 _ndb_struct_na_base_pair_step.i_PDB_ins_code_2 _ndb_struct_na_base_pair_step.j_PDB_ins_code_2 _struct_ref_seq_dif.db_mon_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_alt_id _struct_site_gen.label_alt_id _pdbx_struct_mod_residue.details _refine.ls_d_res_low _struct_conn.ptnr1_label_atom_id _struct_conn.ptnr2_label_atom_id _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.seq_num Parent child corrections in categories pdbx_poly_seq_scheme (entity_id exchange parent and child references) struct_ref_seq_dif Remove the following items from category key and make optional. _entity_name_com.name _entity_name_sys.name _pdbx_nmr_software.version _software.version Add approximate regex for Enzyme Commission number. |
mmcif_pdbx.dic |
| 1.054 | 2008-06-09 | Changes: (jdw) + Removed parent child constraints from items - _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_label_asym_id |
mmcif_pdbx.dic |
| 1.053 | 2008-05-29 | Changes: (jdw) + This dictionary is the first version supporting PDB V3.2 + Added- _refine_ls_restr_ncs.pdbx_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id to category keys - |
mmcif_pdbx.dic |
| 1.052 | 2008-05-29 | Changes: (jdw) + Added- _refine_ls_restr_ncs.pdb_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id. + Removed parent-child references to the atom_site category from categories pdbx_unobs_or_zero_occ_atoms/residues. ** Note this is the last version of the dictionary supporting version PDB 3.1 files. |
mmcif_pdbx.dic |
| 1.051 | 2008-02-10 | Changes: (jw): + Added contributed item from Acta Cryst. editors by way of Brian McMahon, _reflns.pdbx_d_opt. |
mmcif_pdbx.dic |
| 1.050 | 2008-01-24 | Changes (jdw,zf): + make _pdbx_validate_close_contact.symm_as_xyz_1,2 optional |
mmcif_pdbx.dic |
| 1.049 | 2008-01-09 | + Added _entity_poly.rcsb_build_self_reference, _refine.pdbx_overall_phase_error and _refine_ls_shell.pdbx_phase_error + Added contributed items from Howard Einsphar and Manfred Weiss - _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all |
mmcif_pdbx.dic |
| 1.048 | 2007-11-18 | Changes: (jdw/kh) + allow leading '+' for data type int + add '[]' to allowed characters for data types code and ucode - + make items other than the category key in ENTITY_SRC_NAT optional. |
mmcif_pdbx.dic |
| 1.047 | 2007-08-24 | Changes: (jdw/kh/zf) + Add categories pdbx_struct_ref_seq_insertion and pdbx_struct_ref_seq_deletion. |
mmcif_pdbx.dic |
| 1.046 | 2007-08-14 | Changes: (jdw/kh/zf) + Replace ebi_validate_* categories with pdbx_validate_* categories including categories describing planar deviations. These categories provide placeholder definitions for mapping PDB REMARK 500 validation data and other PDB remarks - Added categories: pdbx_validate_close_contact,pdbx_validate_symm_contact,pdbx_validate_rmsd_bond, pdbx_validate_rmsd_angle,pdbx_validate_torsion,pdbx_validate_peptide_omega, pdbx_validate_chiral,pdbx_validate_planes,pdbx_validate_planes_atom, pdbx_validate_main_chain_plane, pdbx_struct_conn_angle, pdbx_unobs_or_zero_occ_residues pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue, and pdbx_entry_details + Add 'identity operation' to enums for _pdbx_struct_oper_list.type + _chem_comp.pdbx_processing_site added. |
mmcif_pdbx.dic |
| 1.045 | 2007-06-23 | Changes: (jdw) + change data type for _pdbx_database_PDB_obs_spr.replace_pdb_id to line + remove parent/child relationship for - _chem_comp.mon_nstd_parent_comp_id + extend enumerations for _pdbx_SG_project + data type _diffrn_detector.pdbx_collection_date made yyyy-mm-dd:hh:mm-flex + extend enumerations for _pdbx_nmr_exptl_sample.concentration_units + make pdbx_database_status - author_release_status and recvd_initial_deposition_date items optional + adjust enumeration case for _pdbx_chem_comp_descriptor.type + supress parent relationship for _phasing_MIR_der_site.atom_type_symbol + uchar3 adjusted to accept all possible 3-letter-code values - + extended enumeration for _software.language + data type for _chem_comp.mon_nstd_parent_comp_id changed to uline |
mmcif_pdbx.dic |
| 1.044 | 2007-05-30 | Changes: (jdw/as) + added _citation_author.ordinal to category key + remove duplicate data item specifications in category entity_src_gen + miscellaneous corrections to data item references in definitions + make all 'replaces/replacedby' relationships reciprocal + make all key items mandatory. + add program and program_version to the key of category pdbx_chem_comp_identifier + suppress aliases to the ebi_extension dictionary. |
mmcif_pdbx.dic |
| 1.043 | 2007-05-28 | Changes: (jdw) + adjust child data types for consistency with parent types. + removed aliases to local status items in pdbx_database_status. |
mmcif_pdbx.dic |
| 1.042 | 2007-05-20 | Changes: (jdw) + Add _software.classification to category key. + Change enumerations for _pdbx_chem_comp_descriptors.program and _pdbx_chem_comp_identifiers.program to examples. + Make category keys in audit_conform mandatory + remove incorrect parent-child link to _pdbx_struct_assembly_gen.oper_expression + Added _pdbx_struct_assembly_gen.asym_id_list and replaced _pdbx_struct_assembly_gen.entity_inst_id with this item in the key for this category. Suppressed parent child relationships between _pdbx_struct_entity_inst.id and categories outside the _pdbx_struct_* group. + Added _chem_comp.pdbx_model_coordinates_db_code, _chem_comp.pdbx_initial_date, _chem_comp.pdbx_modified_date. + Data types changed to int for - _atom_site.pdbx_PDB_model_num, _struct_conf.pdbx_PDB_helix_length, _pdbx_poly_seq_scheme.ndb_seq_num, _pdbx_struct_sheet_hbond.range_1_label_seq_id, _pdbx_struct_sheet_hbond.range_2_label_seq_id, _atom_site_anisotrop.pdbx_label_seq_id, _struct_conn.pdbx_ptnr3_label_seq_id. + _em_vitrification.humidity data type changed to float. + category key for refine_ls_restr_ncs changed to _refine_ls_restr_ncs.dom_id, _refine_ls_restr_ncs.pdbx_type, _refine_ls_restr_ncs.pdbx_asym_id. |
mmcif_pdbx.dic |
| 1.041 | 2007-04-04 | Changes: (jdw) Adjust category key for PDBX_VERSION category. Update definition of _pdbx_struct_oper_list.id |
mmcif_pdbx.dic |
| 1.040 | 2007-03-20 | Changes: (jdw) + skip version 1.039 to sync with remediation dictionary version. + Updated enumerations and boundary values for _pdbx_database_status.deposit_site *.isotopic_labeling, _citation.pdbx_database_id_PubMed. |
mmcif_pdbx.dic |
| 1.038 | 2007-02-02 | Changes: (jdw) + Added category PDBX_VERSION. |
mmcif_pdbx.dic |
| 1.037 | 2006-12-15 | Changes: (jdw) + corrected type in _chem_comp.pdbx_ideal_coordinates_details _chem_comp.pdbx_model_coordinates_details definitions. + added _chem_comp.pdbx_ideal_coordinates_missing_flag + added _chem_comp.pdbx_model_coordinates_missing_flag + In chem_comp_atom /bond - added missing enumerations for atom/bond stereo_config and aromatic flags. + added PUBCHEM_SID and PUBCHEM_CID to pdbx_chem_comp_identifier.type. |
mmcif_pdbx.dic |
| 1.036 | 2006-11-14 | Changes: (jdw) + revise category keys in pdbx_chem_comp_atom_edit and pdbx_chem_comp_bond_edit. + removed unused category pdbx_chem_comp_protonation_site + added _chem_comp.pdbx_model_coordinates_details and _chem_comp.pdbx_ideal_coordinates_details. |
mmcif_pdbx.dic |
| 1.035 | 2006-11-05 | Changes: (jdw) + missing data types in pdbx_struct_msym/asym_gen. + _citation.pdbx_unpublished enum typo |
mmcif_pdbx.dic |
| 1.034 | 2006-11-01 | Changes: (jdw) + Adjust mandatory codes for pdbx_entity_inst_id. |
mmcif_pdbx.dic |
| 1.033 | 2006-10-16 | Changes: (jdw) + Correct typos pdbx_chem_comp_descriptors/identifiers + add ordinal data items to these cateogories. + added _pdbx_refine.free_R_error_no_cutoff |
mmcif_pdbx.dic |
| 1.032 | 2006-10-12 | Changes: (jdw) +Added Categories: pdbx_helical_symmetry pdbx_point_symmetry pdbx_struct_entity_inst pdbx_struct_oper_list pdbx_struct_assembly pdbx_struct_assembly_gen pdbx_struct_asym_gen pdbx_struct_msym_gen pdbx_struct_legacy_oper_list pdbx_reflns_twin pdbx_struct_info pdbx_re_refinement pdbx_struct_assembly_prop pdbx_struct_ref_seq_feature pdbx_struct_ref_seq_feature_prop pdbx_struct_chem_comp_diagnostics +Added items: _pdbx_helical_symmetry.entry_id _pdbx_helical_symmetry.number_of_operations _pdbx_helical_symmetry.rotation_per_n_subunits _pdbx_helical_symmetry.rise_per_n_subunits _pdbx_helical_symmetry.n_subunits_divisor _pdbx_helical_symmetry.dyad_axis _pdbx_helical_symmetry.circular_symmetry _pdbx_point_symmetry.entry_id _pdbx_point_symmetry.Schoenflies_symbol _pdbx_point_symmetry.H-M_notation _pdbx_point_symmetry.circular_symmetry _pdbx_struct_entity_inst.details _pdbx_struct_entity_inst.entity_id _pdbx_struct_entity_inst.id _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.vector[3] _pdbx_struct_assembly.details _pdbx_struct_assembly.id _pdbx_struct_assembly_gen.entity_inst_id _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_asym_gen.entity_inst_id _pdbx_struct_asym_gen.asym_id _pdbx_struct_asym_gen.oper_expression _pdbx_struct_msym_gen.entity_inst_id _pdbx_struct_msym_gen.msym_id _pdbx_struct_msym_gen.oper_expression _pdbx_struct_legacy_oper_list.id _pdbx_struct_legacy_oper_list.name _pdbx_struct_legacy_oper_list.matrix[1][1] _pdbx_struct_legacy_oper_list.matrix[1][2] _pdbx_struct_legacy_oper_list.matrix[1][3] _pdbx_struct_legacy_oper_list.matrix[2][1] _pdbx_struct_legacy_oper_list.matrix[2][2] _pdbx_struct_legacy_oper_list.matrix[2][3] _pdbx_struct_legacy_oper_list.matrix[3][1] _pdbx_struct_legacy_oper_list.matrix[3][2] _pdbx_struct_legacy_oper_list.matrix[3][3] _pdbx_struct_legacy_oper_list.vector[1] _pdbx_struct_legacy_oper_list.vector[2] _pdbx_struct_legacy_oper_list.vector[3] _pdbx_reflns_twin.diffrn_id _pdbx_reflns_twin.crystal_id _pdbx_reflns_twin.type _pdbx_reflns_twin.operator _pdbx_reflns_twin.fraction _pdbx_reflns_twin.mean_I2_over_mean_I_square _pdbx_reflns_twin.mean_F_square_over_mean_F2 _struct_conn.pdbx_dist_value _pdbx_struct_info.type _pdbx_struct_info.value _pdbx_struct_assembly_prop.details _pdbx_re_refinement.entry_id _pdbx_re_refinement.citation_id _pdbx_re_refinement.details _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details _struct_biol.pdbx_aggregation_state _struct_biol.pdbx_assembly_method _entry.pdbx_DOI _citation.unpublished_flag _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_nat.pdbx_ncbi_taxonomy_id _pdbx_struct_ref_seq_feature.feature_id _pdbx_struct_ref_seq_feature.align_id _pdbx_struct_ref_seq_feature.type _pdbx_struct_ref_seq_feature.details _pdbx_struct_ref_seq_feature.pdb_strand_id _pdbx_struct_ref_seq_feature.asym_id _pdbx_struct_ref_seq_feature.beg_auth_seq_id _pdbx_struct_ref_seq_feature.end_auth_seq_id _pdbx_struct_ref_seq_feature.beg_seq_num _pdbx_struct_ref_seq_feature.end_seq_num _pdbx_struct_ref_seq_feature.beg_auth_mon_id _pdbx_struct_ref_seq_feature.end_auth_mon_id _pdbx_struct_ref_seq_feature.beg_pdb_ins_code _pdbx_struct_ref_seq_feature.end_pdb_ins_code _pdbx_struct_ref_seq_feature_prop.feature_id _pdbx_struct_ref_seq_feature_prop.property_id _pdbx_struct_ref_seq_feature_prop.type _pdbx_struct_ref_seq_feature_prop.value _pdbx_struct_ref_seq_feature_prop.details _pdbx_struct_ref_seq_feature_prop.beg_db_mon_id _pdbx_struct_ref_seq_feature_prop.end_db_mon_id _pdbx_struct_ref_seq_feature_prop.beg_db_seq_id _pdbx_struct_ref_seq_feature_prop.end_db_seq_id |
mmcif_pdbx.dic |
| 1.031 | 2006-08-10 | Changes: (jdw) + Correct typo in new definitions - change _chem_comp_atom.pdbx_model_Cartn_[xyz]_2 to [xyz]_ideal + Add enum for NYSGXRC + Add enum for HOLD FOR 8 WEEKS. |
mmcif_pdbx.dic |
| 1.030 | 2006-06-27 | Changes: (zf) + fixed the alias for _pdbx_refine_tls_group.beg_auth_seq_id item |
mmcif_pdbx.dic |
| 1.029 | 2006-06-12 | Changes: (jdw) + More additions to enumerations for SG sites. + revise enumerations for status codes. |
mmcif_pdbx.dic |
| 1.028 | 2006-05-11 | Changes: (jdw) + Make _chemp_comp.pdbx_replaces a comma separated list. + Adjust enumerations for SG sites |
mmcif_pdbx.dic |
| 1.027 | 2006-05-01 | Changes: (jdw) + add _chemp_comp.pdbx_replaces/pdbx_replaced_by |
mmcif_pdbx.dic |
| 1.026 | 2006-04-27 | Changes: (jdw) + add 4 week enumeration/example for HOLD status items + add pdbx_ordinal items for chem_comp_atom/bond and pdbx_ambiguous_flag to chem_comp. |
mmcif_pdbx.dic |
| 1.025 | 2006-04-18 | Changes: (jdw) + fix data type for _entity_poly.type |
mmcif_pdbx.dic |
| 1.024 | 2006-04-13 | Changes: (jdw) + Correct alias for _struct_site_gen.pdbx_auth_ins_code. + Add enum 'polydeoxyribonucleotide/polyribonucleotide hybrid' to entity_poly.type. + update enums in pdbx_SG_project. |
mmcif_pdbx.dic |
| 1.023 | 2006-03-01 | Changes: (jdw) + Add _pdbx_contact_author.continent + Remove enums for _pdbx_contact_author.country + Added EMDB, TARGETDB, PEPCDB to _pdbx_database_related.db_name examples and associated EM volume, associated NMR restraints, associated structure factors, and associated protein target sequence/protocol data to _pdbx_database_related.content_type. |
mmcif_pdbx.dic |
| 1.022 | 2006-02-24 | Changes: (jdw) + Fixed syntax issues (ie. extra loop_) in items in _pdbx_construct.* + Added missing category groups in standard dictionary section 1. + Fixed category error for item _chem_comp_atom.pdbx_align |
mmcif_pdbx.dic |
| 1.021 | 2005-10-12 | Changes: (jdw) + added categories pdbx_refine_component, pdbx_chem_comp_descriptor, pdbx_chem_comp_identifier, pdbx_chem_comp_import,pdbx_chem_comp_atom_edit, pdbx_chem_comp_bond_edit, and pdbx_chem_comp_audit. + added stereochemistry and aromaticity flags to chem_comp_atom and chem_comp_bond. + added alternate component and atom nomenclature to chem_comp_atom. + added alternate model coordinates to chem_comp_atom category |
mmcif_pdbx.dic |
| 1.020 | 2005-08-23 | Changes: (jdw) + Correct typos in pdbx_feature_monomer. + Correct typos in examples in categories refine and publ_manuscript_incl |
mmcif_pdbx.dic |
| 1.019 | 2005-07-21 | Changes: (jdw) + Added _struct.pdbx_formula_weight and _struct.pdbx_formula_weight_method + Added _refln.pdbx_HL_A_iso, _refln.pdbx_HL_B_iso, _refln.pdbx_HL_C_iso, and _refln.pdbx_HL_D_iso + Added _phasing_set.pdbx_d_res_low/high _pdbx_phasing_MR.native_data_set_id + Added category pdbx_feature_monomer |
mmcif_pdbx.dic |
| 1.018 | 2005-07-14 | Changes: (jdw) + Added PDB_SOLN_SCATTER* definitions + Added _refln.pdbx_[F,I]_[minus,plus] and _refln.pdbx_[F,I]_[minus,plus]_sigma + Extend enumeration for _pdbx_database_status.status_code_sf |
mmcif_pdbx.dic |
| 1.017 | 2005-06-27 | Changes: (BMcM) + added _reflns.threshold_expression and _publ_author.email + numerous minor changes to wordings of definitions to align with mmcif version 2.0.09 as released on International Tables G CD-ROM |
mmcif_pdbx.dic |
| 1.016 | 2005-06-24 | Changes: (jdw) + aliases repointed for items in category pdbx_database_remark + Added the following items: _diffrn_detector.pdbx_frames_total _diffrn_detector.pdbx_collection_time_total _refine.pdbx_ls_sigma_Fsqd _reflns.pdbx_Rmerge_I_all _reflns.pdbx_netI_over_sigmaI _reflns.pdbx_res_netI_over_av_sigmaI_2 _reflns.pdbx_res_netI_over_sigmaI_2 _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _struct_biol.pdbx_formula_weight _struct_biol.pdbx_formula_weight_method _struct_biol_gen.pdbx_PDB_order _phasing_MAD.pdbx_number_data_sets _phasing_MAD.pdbx_anom_scat_method _phasing_MIR.pdbx_number_derivatives _phasing_set.pdbx_temp_details + miscellaneous editorial changes in descriptions and enumerations. |
mmcif_pdbx.dic |
| 1.015 | 2005-04-15 | Changes: (jdw) + remove _entity_keywords.text from category key |
mmcif_pdbx.dic |
| 1.014 | 2005-04-08 | Changes: (jdw) + remove _struct_keywords.text from category key |
mmcif_pdbx.dic |
| 1.013 | 2005-04-05 | Changes: (jdw) + Temporarily remove definitions from Image CIF dictionary + Added mandatory code for _cell.reciprocal_angle_beta + Added mandatory code for _pdbx_entity_nonpoly.entity_id + Fixed category attribute for _reflns_shell.pdbx_chi_squared + Changed mandatory code for _software.citation_id |
mmcif_pdbx.dic |
| 1.012 | 2005-03-29 | Changes: (kh/jdw) + added preliminary set of extensions for macromolecular powder diffraction experiments, including: _pdbx_exptl_pd (category) _pdbx_exptl_pd.entry.id _pdbx_exptl_pd.spec_preparation_pH _pdbx_exptl_pd.spec_preparation_pH_range _pdbx_exptl_pd.spec_preparation _diffrn_radiation.pdbx_analyzer _refine.pdbx_pd_number_of_powder_patterns _refine.pdbx_pd_number_of_points _refine.pdbx_pd_meas_number_of_points _refine.pdbx_pd_proc_ls_prof_R_factor _refine.pdbx_pd_proc_ls_prof_wR_factor _refine.pdbx_pd_Marquardt_correlation_coeff _refine.pdbx_pd_Fsqrd_R_factor _refine.pdbx_pd_ls_matrix_band_width Changes: (fzk) removed 'National Project on Protein Structural and Functional Analyses' from _pdbx_SG_project.full_name_of_center, added 'National Project on Protein Structural and Functional Analyses' to _pdbx_SG_project.project_name |
mmcif_pdbx.dic |
| 1.011 | 2005-03-08 | Changes: (jdw) + Included extensions from mmCIF dictionary... Changes: (fzk) + add _pdbx_refine_tls_group.beg_auth_asym_id + add _pdbx_refine_tls_group.end_auth_asym_id + add enumeration values 'SGC' and 'NPPSFA' for _pdbx_SG_project.initial_of_center + add enumeration values 'Structural Genomics Consortium' and 'National Project on Protein Structural and Functional Analyses' for _pdbx_SG_project.full_name_of_center + fix _item_description.description for _entity_poly.pdbx_target_identifier |
mmcif_pdbx.dic |
| 1.010 | 2005-01-25 | Changes: (jdw) + change mandatory doc for _pdbx_database_status.SG_entry + fix key in category pdbx_database_PDB_obs_spr |
mmcif_pdbx.dic |
| 1.009 | 2005-01-13 | Changes: (zkf) + add _pdbx_database_status.status_code_sf item + add _pdbx_database_status.date_of_sf_release item + add _pdbx_database_status.status_code_mr item + add _pdbx_database_status.date_of_mr_release item + add _pdbx_database_status.SG_entry item + add _entity_poly.pdbx_target_identifier item + add pdbx_SG_project category + fixed enumeration values for _software.language |
mmcif_pdbx.dic |
| 1.008 | 2004-11-15 | Changes: (jdw) + fix typo in category save frame name pdbx_exptl_crystal_grow_comp. |
mmcif_pdbx.dic |
| 1.007 | 2004-11-02 | Changes: (jdw) + added pdbx_entity_prod_protocol, pdbx_exptl_crystal_grow_sol, pdbx_exptl_crystal_grow_comp, and pdbx_exptl_crystal_cryo_treatment categories + relax enumerations in cryo-em dictionary. + remove upper-bound for refine.occupancy_max |
mmcif_pdbx.dic |
| 1.006 | 2004-10-10 | Changes: (jdw) + Update enumerations in cryo-em dictionary. |
mmcif_pdbx.dic |
| 1.005 | 2004-09-28 | Changes: (zkf,jdw) + Add missing pdbx_contact_author.postal_code item + Add missing pdbx_contact_author.city item + Add missing pdbx_contact_author.state_province item + Add enumerations in pdbx_contact_author.id + Modify enumerations in pdbx_contact_author.role |
mmcif_pdbx.dic |
| 1.004 | 2004-08-04 | Changes: (jdw) + Fix many data type errors in phasing section. + Add pdbx_contact_author |
mmcif_pdbx.dic |
| 1.003 | 2004-06-16 | Changes: (jdw) + Fix miscellaneous unresolved links. |
mmcif_pdbx.dic |
| 1.002 | 2004-06-09 | Changes: (jdw) + Added categories PDBX_DOMAIN, PDBX_SEQUENCE_RANGE, PDBX_FEATURE_ENTRY, PDBX_FEATURE_ASSEMBLY, PDBX_FEATURE_DOMAIN, and PDBX_FEATURE_SEQUENCE_RANGE. |
mmcif_pdbx.dic |
| 1.001 | 2004-05-21 | Changes: (jdw) + Fixed incorrect category in _pdbx_audit_author.address + Added _citation.pdbx_database_id_DOI + Fixed placement of _chem_comp.pdbx_align. Moved this item to _chem_comp_atom.pdbx_align |
mmcif_pdbx.dic |
| 1.000 | 2004-04-22 | Changes: (jdw) + New packaging and naming + Integrate 3d em definitions + Relax enumerations to comply with existing legacy data. + Version to 1.000 |
mmcif_pdbx.dic |
| 0.020 | 2003-10-30 | Changes: (jdw/zf) + Fix cases where category keys are not flagged as mandatory + Add category PDBX_AUDIT_AUTHOR |
mmcif_pdbx.dic |
| 0.019 | 2003-09-21 | Changes: (jdw/hy) + Added additional phasing items for PDB_EXTRACT. |
mmcif_pdbx.dic |
| 0.018 | 2003-07-07 | Changes: (jdw) + Integrated protein production data items. |
mmcif_pdbx.dic |
| 0.017 | 2002-10-05 | Changes: (jdw) + Final corrections of recommendations for NMR and X-ray deposition for structural genomics. |
mmcif_pdbx.dic |
| 0.016 | 2002-08-05 | Changes: (jdw) + Add PDBX_AUDIT category. |
mmcif_pdbx.dic |
| 0.015 | 2002-05-22 | Changes: (jdw) + Add PDBX_ENTITY_NONPOLY and fix missing data type codes. |
mmcif_pdbx.dic |
| 0.014 | 2002-02-28 | Changes: (jdw) + Add items for NMR model and PDB insert code to GEOM_BOND, GEOM_ANGLE, GEOM_CONTACT, and GEOM_TORSION categories. |
mmcif_pdbx.dic |
| 0.013 | 2001-07-12 | Changes: (jdw) + enumerations->examples for _pdbx_nmr_representative.selection_criteria and _pdbx_database_related.db_name. + add regex for int and float ranges |
mmcif_pdbx.dic |
| 0.012 | 2001-06-28 | Changes: (jdw) + _atom_site_anisotrop.pdbx_auth_* aliases corrected. + adjust regex for date:time type |
mmcif_pdbx.dic |
| 0.011 | 2001-06-14 | Changes: (jdw) + Moved enumerations to examples for _pdbx_nmr_spectrometer.field_strength + _atom_site.pdb_auth_atom_name data type changed from code to atcode. |
mmcif_pdbx.dic |
| 0.010 | 2001-04-18 | Changes: (jdw) + Added missing _item_type.codes for _refine_hist.number_atoms_solvent _refine_hist.number_atoms_total _refine.overall_SU_B _refine.overall_SU_ML _refine.pdbx_overall_ESU_R + Added CCP4 data items output from REFMAC V5. |
mmcif_pdbx.dic |
| 0.009 | 2001-03-02 | Changes: (jdw) + Added missing mandatory codes and reset aliases for _diffrn_radiation.pdbx_wavelenth_list. |
mmcif_pdbx.dic |
| 0.008 | 2001-01-22 | Changes: (jdw) + Added item _pdbx_database_status.dep_release_code_sequence |
mmcif_pdbx.dic |
| 0.007 | 2000-11-09 | Changes: (jdw) + Added mandatory codes for _exptl_crystal_grow.pdbx_details and _exptl_crystal_grow.pdbx_pH_range. + Added missing data types and category ids in category pdbx_struct_sheet_hbond. + Updated data type for atom name references to atcode. + Updated aliases for _refine.overall_SU_B and _refine.overall_SU_ML. + Trimmed line lengths > 80 characters. |
mmcif_pdbx.dic |
| 0.006 | 2000-10-26 | Changes: (jdw) + Added _exptl_crystal_grow.rcsb_pH_range. + Added category PDBX_STRUCT_SHEET_HBOND to hold single hydrogen bond registration between beta sheet strands. |
mmcif_pdbx.dic |
| 0.005 | 2000-10-25 | Changes: (jdw) + drop category PDBX_DATABASE_REMARK |
mmcif_pdbx.dic |
| 0.004 | 2000-10-24 | Changes: (jdw) + Added optional timestamps to data items. + Repositioned parent items in PDBX_POLY_SEQ_SCHEME. |
mmcif_pdbx.dic |
| 0.003 | 2000-10-16 | Changes: (jdw) + Move enumerations to examples for: _pdbx_nmr_exptl.type _pdbx_nmr_ensemble.conformer_selection_criteria _pdbx_nmr_software.name _struct_keywords.pdbx_keywords + Added _atom_site_anisotrop.pdbx_auth_* items + Added _struct_mon_prot_cis.pdbx_ + Added _struct_conn.pdbx_ptnr3_auth_* items. |
mmcif_pdbx.dic |
| 0.002 | 2000-06-06 | Changes: (jdw) + Added items in refine_hist and exptl_crystal_grow |
mmcif_pdbx.dic |
| 0.001 | 2000-05-23 | Initial revision based on RCSB local dictionaries and EBI database schema. J. Westbrook and J. Ionides |
mmcif_pdbx.dic |