openforcefield.utils.structure.positions_from_oemol¶

openforcefield.utils.structure.positions_from_oemol(mol)[source]¶

Extract OpenMM positions from OEMol.

Parameters:	mol : oechem.openeye.OEMol OpenEye molecule from which to extract coordinates.
Returns:	positions : simtk.unit.Quantity of dimension (nparticles,3)