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Commit 21356238 authored by tobias's avatar tobias
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fix selection problem in msms

git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2301 5a81b35b-ba03-0410-adc8-b2c5c5119f08
parent 118744b3
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......@@ -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
......
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