Mercurial > repos > bgruening > openbabel_subsearch
diff subsearch.xml @ 7:ab2b9d87b067 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
| author | bgruening |
|---|---|
| date | Tue, 07 May 2019 13:34:19 -0400 |
| parents | 98e12cc1f3a8 |
| children | 171c94786a56 |
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--- a/subsearch.xml Mon Sep 03 16:42:43 2018 -0400 +++ b/subsearch.xml Tue May 07 13:34:19 2019 -0400 @@ -19,10 +19,10 @@ ]]> </command> <inputs> - <param name="query" type='data' format="tabular,smi,sdf,inchi,txt" label="query"/> - <param name="fastsearch" type='data' format="obfs" label="OpenBabel Fastsearch Index" help="The OpenBabel fastsearch index can be created with the convert tool."/> - <param name="max_candidates" type="integer" value="4000" label="The maximum number of candidates"/> - <param name='oformat' type='select' format='text' label="Output format."> + <param name="query" type='data' format="tabular,smi,sdf,inchi,txt" label="Query"/> + <param name="fastsearch" type='data' format="obfs" label="OpenBabel Fastsearch Index" help="The OpenBabel fastsearch index can be created with the compound conversion tool."/> + <param name="max_candidates" type="integer" value="4000" label="Maximum number of candidates"/> + <param name='oformat' type='select' format='text' label="Output format"> <option value='smi'>SMILES</option> <option value='inchi'>InChI</option> <option value='sdf'>SD-Files</option> @@ -44,7 +44,7 @@ <test> <param name="query" ftype="sdf" value="CID_2244.sdf"/> <param name="fastsearch" value="ob_convert_on_CID2244_obfs.txt" ftype="obfs" > - <composite_data value='molecule.sdf' ftype="sdf"/> + <composite_data value='molecule.sdf' /> <composite_data value='molecule.fs'/> </param> <param name="oformat" value="names" />