# HG changeset patch
# User bgruening
# Date 1495324906 14400
# Node ID 6bc0c06e1df6ef5e01a7332cd1552d2d3edd6eba
# Parent  f15c87ff1df4622669ce48ebe938ac382f691b80
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit c376ab981fafb25f0c04a2a313968fa2e55f5196

diff -r f15c87ff1df4 -r 6bc0c06e1df6 __pycache__/cheminfolib.cpython-36.pyc
Binary file __pycache__/cheminfolib.cpython-36.pyc has changed
diff -r f15c87ff1df4 -r 6bc0c06e1df6 ob_spectrophore_search.py
--- a/ob_spectrophore_search.py	Sat May 20 19:58:59 2017 -0400
+++ b/ob_spectrophore_search.py	Sat May 20 20:01:46 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)