# HG changeset patch # User bgruening # Date 1495325085 14400 # Node ID 45cab3c4bfc4050e56205215e3c8ab1aae82e92e # Parent b40a6733bc838da864a633d8372728e751095b2b planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608 diff -r b40a6733bc83 -r 45cab3c4bfc4 __pycache__/cheminfolib.cpython-36.pyc Binary file __pycache__/cheminfolib.cpython-36.pyc has changed diff -r b40a6733bc83 -r 45cab3c4bfc4 ob_filter.py --- a/ob_filter.py Sat May 20 09:01:24 2017 -0400 +++ b/ob_filter.py Sat May 20 20:04:45 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: