OESet3DHydrogenGeom

OESet3DHydrogenGeom(mol: Union[OEGraphMol,OEMol,OEQMol]) -> bool

Assigns approximate 3D coordinates to explicit hydrogen atoms of the molecule. Only explicit hydrogen atoms with identical coordinates to their parent heavy atoms are updated.

OESet3DHydrogenGeom(mol: Union[OEGraphMol,OEMol,OEQMol],
                    hatom: OEAtomBase) -> bool

Assigns approximate 3D coordinates to the given hydrogen.

See also

• OESet2DHydrogenGeom function

• OEAddExplicitHydrogens function