Data Item _pdbx_investigation_entity_nonpoly.inchikey_descriptor_program

General

Item name
_pdbx_investigation_entity_nonpoly.inchikey_descriptor_program
Category name
pdbx_investigation_entity_nonpoly
Attribute name
inchikey_descriptor_program
Required in PDB entries
no
Used in current PDB entries
No

Item Description

This data item contains the name of the program or software library used to compute the InChIKey descriptor for the small molecule component.
 OPENEYE
 CACTVS
 RDKIT
 DAYLIGHT
 INCHI
 OPENBABEL
 OTHER

Data Type

Data type code
line
Data type detail
char item types / multi-word items ...
Primitive data type code
char
Regular expression
[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*