Mercurial > repos > bgruening > sucos_clustering
comparison sucos_cluster.xml @ 1:334ad24525db draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 6fa2a0294d615c9f267b766337dca0b2d3637219"
| author | bgruening |
|---|---|
| date | Fri, 11 Oct 2019 18:26:08 -0400 |
| parents | f80cfac80c53 |
| children | 12725d4b90f3 |
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| 0:f80cfac80c53 | 1:334ad24525db |
|---|---|
| 1 <tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="0.1"> | 1 <tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="0.1.1"> |
| 2 <description>based on the overlap of 3D features</description> | 2 <description>based on the overlap of 3D features</description> |
| 3 <macros> | 3 <macros> |
| 4 <import>sucos_macros.xml</import> | 4 <import>sucos_macros.xml</import> |
| 5 </macros> | 5 </macros> |
| 6 <expand macro="requirements"> | 6 <expand macro="requirements"> |
| 7 <requirement type="package" version="1.3.0">scipy</requirement> | 7 <requirement type="package" version="1.3.0">scipy</requirement> |
| 8 </expand> | 8 </expand> |
| 9 <command detect_errors="aggressive"><![CDATA[ | 9 <command detect_errors="exit_code"><![CDATA[ |
| 10 python '$__tool_directory__/sucos_cluster.py' | 10 python '$__tool_directory__/sucos_cluster.py' |
| 11 -i '$input' | 11 -i '$input' |
| 12 -t $threshold | 12 -t $threshold |
| 13 ]]></command> | 13 ]]></command> |
| 14 <inputs> | 14 <inputs> |