OEGetPsi

double OEGetPsi(const OEHierResidue& res)
double OEGetPsi(const OEChem::OEAtomBase* atom,
                unsigned assume = OEAssumption::Default)

Returns the \(\psi\) (psi) angle in radians for a residue specified by its OEHierResidue class or by any OEAtomBase from the residue. The molecule must have 3D coordinates assigned.