Mercurial > repos > bgruening > prepare_ligands_for_docking
comparison change_title_to_metadata_value.py @ 4:de4c80d17527 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author | bgruening |
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date | Tue, 28 Jul 2020 08:40:43 -0400 |
parents | b8838a9aa31a |
children | a5f4b80e6769 |
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3:015ccbd1ad68 | 4:de4c80d17527 |
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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.", |