Dictionary Index mmcif_investigation_fraghub.dic
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General 
- Dictionary title
- InvestigationCIF
- Dictionary description
- The InvestigationCIF dictionary is an extension of the PDBx/mmCIF dictionary. This dictionary is actively developed and maintained in a github repository available at https://github.com/PDBeurope/InvestigationCIF. It captures the relationship between related structures that are part of the same project.
- Original developers
- wwPDB members: Genevieve L. Evans, Ahsan, James Tolchard, Ezra Peisach, and Sameer Velankar
- Dictionary maintainers
- wwPDB members: Genevieve L. Evans, Ahsan, Ezra Peisach
- Dictionary name
- mmcif_investigation_fraghub.dic
- Dictionary version
- 1.0.5
- Last update
- 2025-04-11
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Dictionary Revision History
| Version | Revision Date | Revision Description | |
|---|---|---|---|
| 1.0.5 | 2025-04-11 | Changes (ge): + Updated description for _pdbx_fraghub_investigation_series category. + Added / changed enumerated list of libraries in _pdbx_fraghub_investigation_series.fragment_lib + Added new items to _pdbx_fraghub_investigation_series to capture providence of fragment library identification: - fragment_lib_purchase_year - fragment_lib_identification_method - fragment_lib_citation_id + Added new categories to captuture a reference publication for a fragment library: - _pdbx_fraghub_investigation_fragment_lib_citation - _pdbx_fraghub_investigation_fragment_lib_citation_author + Added new items to _pdbx_fraghub_investigation_fraglib_component to better capture chemical descriptors providence: - isomeric_smiles - isomeric_smiles_program - isomeric_smiles_program_version - inchi_descriptor_program - inchi_descriptor_program_version - inchikey_descriptor_program - inchikey_descriptor_program_version - author_id + Added new item to _pdbx_investigation_entity_nonpoly for: - isomeric_smiles - isomeric_smiles_program - isomeric_smiles_program_version - inchi_descriptor_program - inchi_descriptor_program_version - inchikey_descriptor_program - inchikey_descriptor_program_version - authors_smiles + Updated item description in _pdbx_fraghub_investigation_fraglib_component and _pdbx_investigation_entity_nonpoly of: - name - authors_smiles - cas_identifier |
mmcif_investigation_fraghub.dic |
| 1.0.5 | 2025-04-11 | Changes (ge): + Updated description for _pdbx_fraghub_investigation_series category. + Added / changed enumerated list of libraries in _pdbx_fraghub_investigation_series.fragment_lib + Added new items to _pdbx_fraghub_investigation_series to capture providence of fragment library identification: - fragment_lib_purchase_year - fragment_lib_identification_method - fragment_lib_citation_id + Added new categories to captuture a reference publication for a fragment library: - _pdbx_fraghub_investigation_fragment_lib_citation - _pdbx_fraghub_investigation_fragment_lib_citation_author + Added new items to _pdbx_fraghub_investigation_fraglib_component to better capture chemical descriptors providence: - isomeric_smiles - isomeric_smiles_program - isomeric_smiles_program_version - inchi_descriptor_program - inchi_descriptor_program_version - inchikey_descriptor_program - inchikey_descriptor_program_version - author_id + Added new item to _pdbx_investigation_entity_nonpoly for: - isomeric_smiles - isomeric_smiles_program - isomeric_smiles_program_version - inchi_descriptor_program - inchi_descriptor_program_version - inchikey_descriptor_program - inchikey_descriptor_program_version - authors_smiles + Updated item description in _pdbx_fraghub_investigation_fraglib_component and _pdbx_investigation_entity_nonpoly of: - name - authors_smiles - cas_identifier |
mmcif_investigation_fraghub.dic |