Small bug solved in Growing/AddingFragHelpers/pdb_joiner.py when repl…

…acing atom names
carlesperez94 · Jun 28, 2019 · acab342 · acab342
1 parent f02855c
commit acab342
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/frag_pele/Growing/AddingFragHelpers/pdb_joiner.py b/frag_pele/Growing/AddingFragHelpers/pdb_joiner.py
@@ -175,6 +175,8 @@ def extract_and_change_atomnames(molecule, selected_resname, core_resname, renam
                 final_atom_name = atom_name
                 core_atom_names.append(final_atom_name)
                 names_dictionary[initial_atom_name] = final_atom_name
+            else:
+                names_dictionary[atom_name] = atom_name
     for atom in molecule:
         if atom.getResname() == selected_resname:
             if atom.getName() in names_dictionary: