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Commit a5e6e9d4 authored by Studer Gabriel's avatar Studer Gabriel
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pass the right flags to NACCESS

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modules/bindings/pymod/naccess.py
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...@@ -316,9 +316,9 @@ def CalculateSurfaceArea(entity, radius=1.4, ...@@ -316,9 +316,9 @@ def CalculateSurfaceArea(entity, radius=1.4,
command = "%s %s -p %f " % \ command = "%s %s -p %f " % \
(naccess_executable, naccess_data_file, radius) (naccess_executable, naccess_data_file, radius)
if include_hydrogens: if include_hydrogens:
command = "%s -w" % command
if include_water:
command = "%s -y" % command command = "%s -y" % command
if include_water:
command = "%s -w" % command
if include_hetatm: if include_hetatm:
command = "%s -h" % command command = "%s -h" % command
# execute naccess # execute naccess
......
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