# HG changeset patch
# User bgruening
# Date 1495325181 14400
# Node ID 6b7affb0db3b86ba14c51276d232d3ed95276f65
# Parent  bf3b0107c0f4c128ffe2e852655b5a9726558c81
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c376ab981fafb25f0c04a2a313968fa2e55f5196

diff -r bf3b0107c0f4 -r 6b7affb0db3b __pycache__/cheminfolib.cpython-36.pyc
Binary file __pycache__/cheminfolib.cpython-36.pyc has changed
diff -r bf3b0107c0f4 -r 6b7affb0db3b ob_spectrophore_search.py
--- a/ob_spectrophore_search.py	Sat May 20 20:03:56 2017 -0400
+++ b/ob_spectrophore_search.py	Sat May 20 20:06:21 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)