Mercurial > repos > bgruening > chemical_data_sources
comparison get_pubchem/get_pubchem_as_smiles.xml @ 5:c2055dd1927b draft default tip
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author | bgruening |
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date | Thu, 24 Apr 2014 13:19:33 -0400 |
parents | 7c1f9962ac07 |
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4:7c1f9962ac07 | 5:c2055dd1927b |
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4 <requirement type="package" version="2.3.2">openbabel</requirement> | 4 <requirement type="package" version="2.3.2">openbabel</requirement> |
5 </requirements> | 5 </requirements> |
6 <command interpreter="python"> | 6 <command interpreter="python"> |
7 get_pubchem_as_smiles.py | 7 get_pubchem_as_smiles.py |
8 -o $pubchem_smi | 8 -o $pubchem_smi |
9 -p 4 | 9 -p "\${GALAXY_SLOTS:-4}" |
10 ## temporary hack until my Galaxy patch is committed | 10 ## temporary hack until my Galaxy patch is committed |
11 > /dev/null 2>&1 | 11 > /dev/null 2>&1 |
12 </command> | 12 </command> |
13 <stdio> | 13 <stdio> |
14 <regex match="obError" | 14 <regex match="obError" |