Exemplo n.º 1
0
 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)
Exemplo n.º 2
0
 def find_chi4_dihedrals(self, residue_type):
     return model_topology.FindDihedrals(self, residue_type, 8)