Mercurial > repos > bgruening > openbabel
diff subsearch/subsearch.xml @ 2:125da3a296ca draft default tip
Uploaded
author | bgruening |
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date | Wed, 15 Jul 2015 12:13:08 -0400 |
parents | 527ecd2fc500 |
children |
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--- a/subsearch/subsearch.xml Wed Aug 21 03:06:02 2013 -0400 +++ b/subsearch/subsearch.xml Wed Jul 15 12:13:08 2015 -0400 @@ -4,16 +4,18 @@ <requirement type="package" version="2.3.2">openbabel</requirement> </requirements> <command interpreter="python"> +<![CDATA[ subsearch.py -i $query --iformat "${query.ext}" - --fastsearch-index "${os.path.join($fastsearch.extra_files_path,'molecule.fs')}" + --fastsearch-index "${os.path.join($fastsearch.files_path,'molecule.fs')}" -o "${outfile}" --oformat $oformat --max-candidates $max_candidates - --processors 10 + --processors "\${GALAXY_SLOTS:-12}" +]]> </command> <inputs> <param name="query" type='data' format="tabular,smi,sdf,inchi,text" label="query"/> @@ -42,6 +44,7 @@ </test> </tests> <help> +<![CDATA[ .. class:: infomark @@ -69,5 +72,6 @@ .. _Open Babel: http://openbabel.org/wiki/Main_Page +]]> </help> </tool>