_pdbx_chem_comp_descriptor.type

Name:
'_pdbx_chem_comp_descriptor.type'

Definition:

   This data item contains the descriptor type.

Type: uline

Mandatory item: yes

The data value must be one of the following:

SMILES_CANNONICAL deprecated

SMILES_CANONICAL Canonical SMILES descriptor

SMILES SMILES descriptor

InChI InChi descriptor

InChI_MAIN InChi descriptor- main layer

InChI_MAIN_FORMULA InChi descriptor- main layer - chemical formula sub-layer

InChI_MAIN_CONNECT InChi descriptor- main layer - atom connection sub-layer

InChI_MAIN_HATOM InChi descriptor- main layer - hydrogen atom sub-layer

InChI_CHARGE InChi descriptor- charge layer

InChI_STEREO InChi descriptor- stereochemical layer

InChI_ISOTOPE InChi descriptor- isotopic layer

InChI_FIXEDH InChi descriptor- fixed hydrogren layer

InChI_RECONNECT InChi descriptor- reconnected layer

Category: pdbx_chem_comp_descriptor

Crystallographic Information Framework