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
MDL_MOLV2000 = 4
MDL_MOLV3000 = 5
INCHI = 6
INCHI_KEY = 7
PDB = 8
XYZ = 9
HELM = 10
FASTA = 11