OESet3DHydrogenGeom

bool OESet3DHydrogenGeom(OEMolBase &mol)

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.

bool OESet3DHydrogenGeom(OEMolBase &mol, const OEAtomBase* hatom)

Assigns approximate 3D coordinates to the given hydrogen.

See also

• OESet2DHydrogenGeom function

• OEAddExplicitHydrogens function