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minor improvements #20

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minor improvements #20

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2 changes: 1 addition & 1 deletion scripts/run_waterkit.py
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Original file line number Diff line number Diff line change
Expand Up @@ -55,7 +55,7 @@ def main():
temperature = args.temperature
output_dir = args.output_dir
spherical_water_maps = args.spherical_water_maps
autogrid_exec_path = args.autogrid_exec_path
autogrid_exec_path = os.path.abspath(args.autogrid_exec_path)
water_model = 'tip3p'

# Force to use only one thread per job
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2 changes: 1 addition & 1 deletion waterkit/utils.py
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Expand Up @@ -342,7 +342,7 @@ def is_writable(pathname):
testfile = tempfile.NamedTemporaryFile(dir=pathname)
testfile.close()
except (PermissionError, FileNotFoundError) as e:
raise RuntimeError('Can write in directory %s.' % pathname) from e
raise RuntimeError('Can\'t write in directory %s.' % pathname) from e


def execute_command(cmd_line):
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