# HG changeset patch
# User bgruening
# Date 1495325215 14400
# Node ID 1c010e7479df591010247cf4c94c5b349cfff462
# Parent  45cab3c4bfc4050e56205215e3c8ab1aae82e92e
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c376ab981fafb25f0c04a2a313968fa2e55f5196

diff -r 45cab3c4bfc4 -r 1c010e7479df __pycache__/cheminfolib.cpython-36.pyc
Binary file __pycache__/cheminfolib.cpython-36.pyc has changed
diff -r 45cab3c4bfc4 -r 1c010e7479df ob_spectrophore_search.py
--- a/ob_spectrophore_search.py	Sat May 20 20:04:45 2017 -0400
+++ b/ob_spectrophore_search.py	Sat May 20 20:06:55 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)