Mercurial > repos > bgruening > openbabel_filter

comparison ob_filter.py @ 13:1c0e4c2ac9ce 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 12:02:19 +0000
parents 2213bfc4567a
children ad206086576d
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12:2213bfc4567a 13:1c0e4c2ac9ce
8 """ 8 """
9 import sys, os 9 import sys, os
10 import argparse 10 import argparse
11 import cheminfolib 11 import cheminfolib
12 import json 12 import json
13 import pybel
14 import shlex, subprocess 13 import shlex, subprocess
15 14
15 from openbabel import pybel
16 cheminfolib.pybel_stop_logging() 16 cheminfolib.pybel_stop_logging()
17 17
18 def parse_command_line(): 18 def parse_command_line():
19 parser = argparse.ArgumentParser() 19 parser = argparse.ArgumentParser()
20 parser.add_argument('-i', '--input', help='Input file name') 20 parser.add_argument('-i', '--input', help='Input file name')