Mercurial > repos > guerler > spring_model_all
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author | guerler |
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date | Tue, 23 Mar 2021 13:57:37 +0000 |
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children | e56e0f4c84fb |
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<tool id="spring_model_all" name="SPRING Model-All" license="MIT" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="20.01"> <description>complex structures</description> <macros> <import>macros.xml</import> </macros> <expand macro="requirements" /> <command detect_errors="exit_code"><![CDATA[ spring_model_all.py -p '$pairs' @hhr_source@ @pdb_source@ -c '$crossreference' -o 'models' -g '$log' ]]> </command> <inputs> <param name="pairs" type="data" format="tabular" label="Interacting Pairs" help="Tabular 2-column file containing putative protein interaction pairs." /> <param name="crossreference" type="data" format="tabular" label="Cross Reference" help="SPRING PDB Cross Reference as produced by SPRING Cross tool." /> <expand macro="hhr_source" /> <expand macro="pdb_source" /> <expand macro="logfile" /> </inputs> <outputs> <collection name="models" type="list" label="SPRING Model Structures"> <discover_datasets pattern="__name_and_ext__" directory="models" /> </collection> <data format="tabular" name="log" label="SPRING Model Log"> <filter>logfile</filter> </data> </outputs> <tests> <test> <param name="pairs" value="model/pairs.txt" ftype="tabular" /> <conditional name="hhr_source"> <param name="hhr_source_selector" value="history" /> <param name="ffindex" value="model/hhr.ffindex" /> <param name="ffdata" value="model/hhr.ffdata" /> </conditional> <conditional name="pdb_source"> <param name="pdb_source_selector" value="history" /> <param name="ffindex" value="model/pdb_structures.ffindex" /> <param name="ffdata" value="model/pdb_structures.ffdata" /> </conditional> <param name="crossreference" value="model/crossreference.txt" /> <param name="logfile" value="true" /> <output name="log" file="model/log.txt" /> <output_collection name="models" type="list" count="1"> <element name="sp|Q9BYF1|ACE2_HUMAN.sp|P0DTC2|SPIKE_SARS2" file="model/sp|Q9BYF1|ACE2_HUMAN.sp|P0DTC2|SPIKE_SARS2.pdb" /> </output_collection> </test> <test> <param name="pairs" value="model/pairs.txt" ftype="tabular" /> <conditional name="hhr_source"> <param name="hhr_source_selector" value="indexed" /> <param name="hhr" value="hhr_model" /> </conditional> <conditional name="pdb_source"> <param name="pdb_source_selector" value="indexed" /> <param name="pdb" value="pdb01_model" /> </conditional> <param name="crossreference" value="model/crossreference.txt" /> <param name="logfile" value="true" /> <output name="log" file="model/log.txt" /> <output_collection name="models" type="list" count="1"> <element name="sp|Q9BYF1|ACE2_HUMAN.sp|P0DTC2|SPIKE_SARS2" file="model/sp|Q9BYF1|ACE2_HUMAN.sp|P0DTC2|SPIKE_SARS2.pdb" /> </output_collection> </test> </tests> <help><![CDATA[ **What it does** Creates protein complex model from HHsearch threading results. ]]> </help> <expand macro="citations" /> </tool>