Package rdkit :: Package Chem :: Package ChemUtils :: Module AlignDepict

Module AlignDepict

Functions

AlignDepict(mol, core, corePattern=None, acceptFailure=False)
Arguments: - mol: the molecule to be aligned, this will come back with a single conformer.

source code

Imports: Chem, rdDepictor, Geometry

Function Details

[hide private]

AlignDepict(mol, core, corePattern=None, acceptFailure=False)

source code



Arguments:
  - mol:          the molecule to be aligned, this will come back
                  with a single conformer.
  - core:         a molecule with the core atoms to align to;
                  this should have a depiction.
  - corePattern:  (optional) an optional molecule to be used to 
                  generate the atom mapping between the molecule
                  and the core.