5.18 OESetCrystalSymmetry

bool OESetCrystalSymmetry( OEChem::OEMolBase &mol,
                           float a, float b, float c,
                           float alpha, float beta, float gamma,
                           unsigned int sgnumber );

This function sets the crystal symmetry for a given molecule. For more detais see 5.5.

This function returns false if the indicated space group number is not found or the symmetry cannot be set on the molecule.