Mercurial > repos > bgruening > chemical_data_sources
comparison get_pubchem/get_pubchem_as_smiles.xml @ 5:c2055dd1927b draft default tip
Uploaded
| author | bgruening |
|---|---|
| date | Thu, 24 Apr 2014 13:19:33 -0400 |
| parents | 7c1f9962ac07 |
| children |
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| 4:7c1f9962ac07 | 5:c2055dd1927b |
|---|---|
| 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" |