# HG changeset patch
# User bgruening
# Date 1495324813 14400
# Node ID 0765e1bdc895dfd0adcfc4002d3c3617d7fd892b
# Parent  1b1e6531edc22e746c8787c02c7f3740d8765267
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c376ab981fafb25f0c04a2a313968fa2e55f5196

diff -r 1b1e6531edc2 -r 0765e1bdc895 __pycache__/cheminfolib.cpython-36.pyc
Binary file __pycache__/cheminfolib.cpython-36.pyc has changed
diff -r 1b1e6531edc2 -r 0765e1bdc895 ob_spectrophore_search.py
--- a/ob_spectrophore_search.py	Sat May 20 19:58:06 2017 -0400
+++ b/ob_spectrophore_search.py	Sat May 20 20:00:13 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)