diff --git a/modules/bindings/pymod/msms.py b/modules/bindings/pymod/msms.py index a7a3dd13eb2be594c69f0fb368c941ce403dfd7a..7f9e089ffe63b92f036fe35151593205b25ae6c9 100644 --- a/modules/bindings/pymod/msms.py +++ b/modules/bindings/pymod/msms.py @@ -144,7 +144,10 @@ def CalculateSurfaceArea(entity, density=1.0, radius=1.5, all_surf=False, # parse selection if no_hydrogens: - selection+=" and ele!=H" + if selection=="": + selection="ele!=H" + else: + selection+=" and ele!=H" # setup files for msms (msms_data_dir, msms_data_file)=_SetupFiles(entity, selection) @@ -215,7 +218,10 @@ def CalculateSurface(entity, density=1.0, radius=1.5, all_surf=False, # parse selection if no_hydrogens: - selection+=" and ele!=H" + if selection=="": + selection="ele!=H" + else: + selection+=" and ele!=H" # setup files for msms