bool OESetTorsion(OEHierResidue &res, unsigned torType, double radians) bool OESetTorsion(OEChem::OEAtomBase *atom, unsigned torType, double radians, unsigned assume=OEAssumption::Default)
Sets one of the standard torsions in a residue to a
particular value in radians. The specific torsion is indicated by
passing one of the constants from the
OEProtTorType namespace into
the torType parameter. The residue is specified by its
OEHierResidue class or by any
OEAtomBase from the residue.