Module FunctionalGroups

Classes

Functions

BuildFuncGroupHierarchy(fileNm=None, data=None, force=False)

source code

_SetNodeBits(mol, node, res, idx)

source code

CreateMolFingerprint(mol, hierarchy)

source code

Variables

groupDefns = {}

hierarchy = None
hash(x)

lastData = None
hash(x)

lastFilename = None
hash(x)

__package__ = 'rdkit.Chem'

Imports: RDConfig, os, weakref, cStringIO, re