Mercurial > repos > bgruening > openbabel_addh
diff remove_protonation_state.py @ 12:43167f164076 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
---|---|
date | Tue, 28 Jul 2020 08:37:32 -0400 |
parents | ada6daa717d2 |
children | f697d9601273 |
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--- a/remove_protonation_state.py Thu Apr 09 10:06:25 2020 -0400 +++ b/remove_protonation_state.py Tue Jul 28 08:37:32 2020 -0400 @@ -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()