def __find_dihedrals(self, restyp, dihedral_type, min_selected): if min_selected <= 0: raise ValueError("min_selected must be at least 1") mdl = self.get_model() if mdl is None or len(self) == 0: raise ValueError("Selection contains no atoms") from modeller import model_topology return model_topology.FindDihedrals(mdl, restyp, dihedral_type, self.__check_selected, min_selected)
def find_chi4_dihedrals(self, residue_type): return model_topology.FindDihedrals(self, residue_type, 8)