Mercurial > repos > bgruening > openbabel_spectrophore_search

diff remove_protonation_state.py @ 13:ad77dd97a949 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 11:58:05 +0000
parents 5ae890df4b6c
children d0f5a0785532
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line diff
--- a/remove_protonation_state.py	Thu Apr 09 13:51:54 2020 +0000
+++ b/remove_protonation_state.py	Tue Jul 28 11:58:05 2020 +0000
@@ -6,9 +6,9 @@
 """
 import sys, os
 import argparse
-import openbabel
+
+from openbabel import openbabel, pybel
 openbabel.obErrorLog.StopLogging()
-import pybel
 
 def parse_command_line():
     parser = argparse.ArgumentParser()