diff --git a/modules/bindings/pymod/naccess.py b/modules/bindings/pymod/naccess.py index fc98f23f03104f2f8b47dd0c741c2862a3b37b32..1612c503f9a83e0284e021384b82834aefba166c 100644 --- a/modules/bindings/pymod/naccess.py +++ b/modules/bindings/pymod/naccess.py @@ -50,7 +50,10 @@ def _SetupFiles(entity, selection, scratch_dir, max_number_of_atoms): tmp_dir_name = tempfile.mkdtemp() # select as specified by user - entity_view = entity.Select(selection) + if selection != "": + entity_view = entity.Select(selection) + else: + entity_view = entity if len(entity_view.atoms) > max_number_of_atoms: raise RuntimeError, "Too much atoms for NACCESS (> %s)" % max_number_of_atoms if not entity_view.IsValid():