Mercurial > repos > bgruening > openbabel_remove_protonation_state
comparison change_title_to_metadata_value.py @ 12:bf4e668b6690 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
| author | bgruening |
|---|---|
| date | Tue, 28 Jul 2020 08:41:46 -0400 |
| parents | 612c134546a2 |
| children | b578d0c101cd |
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| 11:5dc2a6cd6da1 | 12:bf4e668b6690 |
|---|---|
| 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.", |