OESymmetryCartesianToFractional

OESymmetryCartesianToFractional(mol: Union[OEGraphMol,OEMol,OEQMol]) -> bool

Converts the Cartesian coordinates of the molecule to unit cell fractional coordinates. Returns false if the molecule does not have crystal symmetry. mol must have 3D Cartesian coordinates assigned and crystal symmetry set (see OESetCrystalSymmetry).