Mercurial > repos > bgruening > prepare_ligands_for_docking
diff ob_remIons.py @ 4:de4c80d17527 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
---|---|
date | Tue, 28 Jul 2020 08:40:43 -0400 |
parents | 06340f46ecb8 |
children | a5f4b80e6769 |
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--- a/ob_remIons.py Thu Apr 09 10:10:31 2020 -0400 +++ b/ob_remIons.py Tue Jul 28 08:40:43 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()