schrodinger.rdkit_extensions module¶

schrodinger::rdkit_extensions C++ wrappers

class schrodinger.rdkit_extensions.Format[source]¶

Bases: object

AUTO_DETECT = 0¶

EXTENDED_SMILES = 2¶

INCHI = 6¶

INCHI_KEY = 7¶

MDL_MOLV2000 = 4¶

MDL_MOLV3000 = 5¶

PDB = 8¶

SMARTS = 3¶

SMILES = 1¶