schrodinger.rdkit_extensions module¶

schrodinger::rdkit_extensions C++ wrappers

class schrodinger.rdkit_extensions.Format(value)¶

Bases: enum.IntEnum

An enumeration.

AUTO_DETECT = 0¶

SMILES = 1¶

EXTENDED_SMILES = 2¶

SMARTS = 3¶

MAESTRO = 4¶

MDL_MOLV2000 = 5¶

MDL_MOLV3000 = 6¶

INCHI = 7¶

INCHI_KEY = 8¶

PDB = 9¶

RDMOL_BINARY_BASE64 = 10¶

XYZ = 11¶

HELM = 12¶

FASTA = 13¶