OECenter

OECenter(conf: OEConfBase, t: OEDoubleArray = None) -> None
OECenter(mcmol: OEMol, t: OEDoubleArray = None) -> None
OECenter(arg1: Union[OEGraphMol,OEQMol], t: OEDoubleArray = None) -> None

Moves the cartesian points specified by c so that the collective center-of-mass is located at the origin, (0.0, 0.0, 0.0). The translation applied to every point is returned as the trans parameter.