Mercurial > repos > iuc > molecule_datatypes
comparison mol_to_mol2_converter.xml @ 0:85eca06eefc6 draft default tip
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| author | bgruening |
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| date | Thu, 15 Aug 2013 03:19:26 -0400 |
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| -1:000000000000 | 0:85eca06eefc6 |
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| 1 <tool id="CONVERTER_mol_to_mol2" name="MOL to MOL2" version="1.0.0"> | |
| 2 <description></description> | |
| 3 <requirements> | |
| 4 <requirement type="package" version="2.3.2">openbabel</requirement> | |
| 5 </requirements> | |
| 6 <command >obabel -imol "${input}" -omol2 -O "${output}" -e 2>&1</command> | |
| 7 <inputs> | |
| 8 <param name="input" type="data" format="mol" label="Molecules in MOL-format"/> | |
| 9 </inputs> | |
| 10 <outputs> | |
| 11 <data name="output" format="mol2"/> | |
| 12 </outputs> | |
| 13 <help> | |
| 14 </help> | |
| 15 </tool> |