Mercurial > repos > bgruening > openbabel_obgrep

diff ob_filter.py @ 1:f7e1b289b811 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608
author: bgruening
date: Sat, 20 May 2017 20:03:32 -0400
parents: b0311f002a5f
children: 8b23033ff72c
--- a/ob_filter.py	Sat May 20 08:59:45 2017 -0400
+++ b/ob_filter.py	Sat May 20 20:03:32 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:
author	bgruening
date	Sat, 20 May 2017 20:03:32 -0400
parents	b0311f002a5f
children	8b23033ff72c