Mercurial > repos > bgruening > openbabel
comparison modify/ob_addh.xml @ 15:ec87a42dccec
ChemicalToolBoX update.
| author | Bjoern Gruening <bjoern.gruening@gmail.com> |
|---|---|
| date | Sat, 01 Jun 2013 20:02:50 +0200 |
| parents | 6493d130f018 |
| children | 3d3e7c1d0f49 |
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| 14:5258b01f1f24 | 15:ec87a42dccec |
|---|---|
| 1 <tool id="ob_addh" name="Add hydrogen atoms" version="1.0"> | 1 <tool id="ctb_ob_addh" name="Add hydrogen atoms" version="1.0"> |
| 2 <description>at a certain pH value</description> | 2 <description>at a certain pH value</description> |
| 3 <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism> | 3 <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism> |
| 4 <requirements> | 4 <requirements> |
| 5 <requirement type="package" version="2.3.2">openbabel</requirement> | 5 <requirement type="package" version="2.3.2">openbabel</requirement> |
| 6 </requirements> | 6 </requirements> |