From a5e6e9d4c6ebd4d4f922a35326b257a8bd997450 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 25 May 2017 15:45:36 +0200
Subject: [PATCH] pass the right flags to NACCESS
---
modules/bindings/pymod/naccess.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/modules/bindings/pymod/naccess.py b/modules/bindings/pymod/naccess.py
index df56c2af0..5d9f20b6e 100644
--- a/modules/bindings/pymod/naccess.py
+++ b/modules/bindings/pymod/naccess.py
@@ -316,9 +316,9 @@ def CalculateSurfaceArea(entity, radius=1.4,
command = "%s %s -p %f " % \
(naccess_executable, naccess_data_file, radius)
if include_hydrogens:
- command = "%s -w" % command
- if include_water:
command = "%s -y" % command
+ if include_water:
+ command = "%s -w" % command
if include_hetatm:
command = "%s -h" % command
# execute naccess
--
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