staticGcParameters.from_smiles(identifier, smarts_records, segment_records, binary_segment_records=None)
Creates parameters from SMILES and segment records.
Requires an installation of rdkit.
Parameters:identifier ([str |
]) – A list of SMILES codes or [Identifier] objects.
smarts_records ([
]) – A list of records containing the SMARTS codes used to fragment the molecule.
segment_records ([
]) – A list of records containing the parameters of all individual segments.
binary_segment_records ([
], optional) – A list of binary segment-segment parameters.