Mercurial > repos > bgruening > openbabel_remions
diff multi_obgrep.py @ 12:ede628d3b905 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
---|---|
date | Tue, 28 Jul 2020 11:59:10 +0000 |
parents | 4e32ab57e8a0 |
children | a4507ac69258 |
line wrap: on
line diff
--- a/multi_obgrep.py Thu Apr 09 13:52:51 2020 +0000 +++ b/multi_obgrep.py Tue Jul 28 11:59:10 2020 +0000 @@ -6,15 +6,14 @@ """ import sys, os import argparse -import openbabel -openbabel.obErrorLog.StopLogging() -import pybel import multiprocessing import tempfile import subprocess import shutil import shlex +from openbabel import openbabel, pybel +openbabel.obErrorLog.StopLogging() def parse_command_line(): parser = argparse.ArgumentParser() parser.add_argument('-i', '--infile', required=True, help='Molecule file.')