openforcefield.utils.structure.generateTopologyFromOEMol

openforcefield.utils.structure.generateTopologyFromOEMol(molecule)[source]

Generate an OpenMM Topology object from an OEMol molecule.

Parameters:
molecule : openeye.oechem.OEMol

The molecule from which a Topology object is to be generated.

Returns:
topology : simtk.openmm.app.Topology

The Topology object generated from molecule.