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.