# HG changeset patch
# User bgruening
# Date 1495324767 14400
# Node ID 491a5c3552b2baa16bb6661ea8b914055635f8a9
# Parent  5fa16d7695ecf9f807c9bae56cae6a49e35bbf04
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c376ab981fafb25f0c04a2a313968fa2e55f5196

diff -r 5fa16d7695ec -r 491a5c3552b2 __pycache__/cheminfolib.cpython-36.pyc
Binary file __pycache__/cheminfolib.cpython-36.pyc has changed
diff -r 5fa16d7695ec -r 491a5c3552b2 ob_spectrophore_search.py
--- a/ob_spectrophore_search.py	Sat May 20 19:57:38 2017 -0400
+++ b/ob_spectrophore_search.py	Sat May 20 19:59:27 2017 -0400
@@ -57,7 +57,7 @@
     # This sets up the parameters for the Spectrophore generation. Parameters are set to fit those of our standard parsing tool
     set_parameters(args)
 
-    mol = pybel.readfile('sdf', args.target).next()
+    mol = next(pybel.readfile('sdf', args.target))
     target_spectrophore = mol.data["Spectrophores(TM)"].strip().split(', ')
     # Compute the paired-distance between every molecule in the library and the target
     distances = Compute_Spectrophores_distance(target_spectrophore, args)