Mercurial > repos > bgruening > openbabel_filter

diff ob_filter.py @ 2:bb3dc83ac131 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608
author bgruening
date Sat, 20 May 2017 20:03:09 -0400
parents 0d6e836460be
children da03b00048b1
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--- a/ob_filter.py	Sat May 20 08:59:00 2017 -0400
+++ b/ob_filter.py	Sat May 20 20:03:09 2017 -0400
@@ -95,7 +95,7 @@
     filters = json.loads((args.filters).replace(' ', '').replace(',}', '}'))
     if args.iformat == 'sdf':
         # Check if the sdf file contains all of the required metadata to invoke the precalculation filtering
-        mol = pybel.readfile('sdf', args.input).next()
+        mol = next(pybel.readfile('sdf', args.input))
         for key, elem in filters.items():
             property = cheminfolib.ColumnNames[key]
             if not property in mol.data: