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

source code

Functions [hide private]
 
AlignDepict(mol, core, corePattern=None, acceptFailure=False)
Arguments: - mol: the molecule to be aligned, this will come back with a single conformer.
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initParser()
Initialize the parser
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processArgs(args) source code
 
main()
Main application
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Variables [hide private]
  __package__ = 'rdkit.Chem.ChemUtils'

Imports: argparse, sys, Chem, Geometry, rdDepictor


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.