Mercurial > repos > bgruening > openbabel_change_title

diff ob_spectrophore_search.py @ 13:1c79ea18e7b5 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 12:01:47 +0000
parents 491a5c3552b2
children 9db27a4302a2
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line diff
--- a/ob_spectrophore_search.py	Thu Apr 09 13:55:19 2020 +0000
+++ b/ob_spectrophore_search.py	Tue Jul 28 12:01:47 2020 +0000
@@ -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