Mercurial > repos > bgruening > openbabel_remove_protonation_state

diff ob_spectrophore_search.py @ 12:bf4e668b6690 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:41:46 -0400
parents 1c010e7479df
children b578d0c101cd
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line diff
--- a/ob_spectrophore_search.py	Thu Apr 09 10:11:55 2020 -0400
+++ b/ob_spectrophore_search.py	Tue Jul 28 08:41:46 2020 -0400
@@ -6,12 +6,11 @@
 """
 import sys, os
 import argparse
-import openbabel
-openbabel.obErrorLog.StopLogging()
-import pybel
 import math
 import numpy as np
 
+from openbabel import openbabel, pybel
+openbabel.obErrorLog.StopLogging()
 #TODO get rid of eval()
 
 global spectrophore