From 7640c993d0ce503eefff6df9dac036047f03fd1c Mon Sep 17 00:00:00 2001 From: Stefan Bienert <stefan.bienert@unibas.ch> Date: Mon, 15 Oct 2012 10:32:47 +0200 Subject: [PATCH] corrected parameter problem in naccess wrapper --- modules/bindings/pymod/naccess.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/modules/bindings/pymod/naccess.py b/modules/bindings/pymod/naccess.py index f9f2e5703..b02aeab7a 100644 --- a/modules/bindings/pymod/naccess.py +++ b/modules/bindings/pymod/naccess.py @@ -205,7 +205,7 @@ def CalculateSurfaceArea(entity, radius=1.4, # parse selection # setup files for msms - (naccess_data_dir, naccess_data_file,naccess_data_base )=_SetupFiles(entity, selection, scratch_dir) + (naccess_data_dir, naccess_data_file,naccess_data_base )=_SetupFiles(entity, selection, scratch_dir, max_number_of_atoms) # set command line command="%s %s -p %f " % \ -- GitLab