diff --git a/examples/code_fragments/harmony/harmony.py b/examples/code_fragments/harmony/harmony.py index 0e1ddc0d4db0b6d24afbf2e759d3a58b481d3e56..d9f98316d49d295e71f5d8f488b8b7052df5e392 100644 --- a/examples/code_fragments/harmony/harmony.py +++ b/examples/code_fragments/harmony/harmony.py @@ -4,7 +4,7 @@ from ost import io, geom, gfx, mol class World: def __init__(self): self.atom_string=mol.CreateEntity() - edi=self.atom_string.RequestXCSEditor(mol.EditMode.BUFFERED_EDIT) + edi=self.atom_string.EditXCS(mol.EditMode.BUFFERED_EDIT) chain=edi.InsertChain("A") r=edi.AppendResidue(chain, "STRING") prev_atom=mol.AtomHandle() @@ -51,7 +51,7 @@ class World: force=((1.0/length)**12-(1.0/length)**6)*diff self.forces[i]+=force self.forces[j]-=force - edi=self.atom_string.RequestXCSEditor(mol.EditMode.BUFFERED_EDIT) + edi=self.atom_string.EditXCS(mol.EditMode.BUFFERED_EDIT) for force, atom in zip(self.forces, self.atom_string.atoms): edi.SetAtomPos(atom, atom.pos+force*0.004) self.go.Rebuild()