Mercurial > repos > bgruening > openbabel_compound_convert

comparison change_title_to_metadata_value.py @ 12:1c66bf08f687 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:41:13 -0400
parents e6011617c748
children 1400d1977e7b
comparison
equal deleted inserted replaced
11:b59c91adeac1 12:1c66bf08f687
7 """ 7 """
8 8
9 import os 9 import os
10 import sys 10 import sys
11 import argparse 11 import argparse
12 import openbabel
13 openbabel.obErrorLog.StopLogging()
14 import pybel
15 import random 12 import random
16 import string 13 import string
17 14
15
16 from openbabel import openbabel, pybel
17 openbabel.obErrorLog.StopLogging()
18 18
19 def main(): 19 def main():
20 parser = argparse.ArgumentParser( 20 parser = argparse.ArgumentParser(
21 description="Change the title from a molecule file to metadata \ 21 description="Change the title from a molecule file to metadata \
22 value of a given-id of the same molecule file.", 22 value of a given-id of the same molecule file.",