Mercurial > repos > guerler > spring_model
diff spring_model.xml @ 0:7ec607bad681 draft
"planemo upload commit 6158473dbced09024b0a805a7df2c93d47705d87"
author | guerler |
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date | Tue, 23 Mar 2021 13:55:00 +0000 |
parents | |
children | 719931bce361 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/spring_model.xml Tue Mar 23 13:55:00 2021 +0000 @@ -0,0 +1,55 @@ +<tool id="spring_model" name="SPRING Model" 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.py + -a '$first_target' + -b '$second_target' + @pdb_source@ + -c '$cross' + -o '$output' + ]]> </command> + <inputs> + <param name="first_target" format="hhr" type="data" label="First HHR target file" help="Threading result for target sequence using HHsearch." /> + <param name="second_target" format="hhr" type="data" label="Second HHR target file" help="Threading result for target sequence using HHsearch." /> + <param name="cross" format="tabular" type="data" label="Cross Reference" help="SPRING PDB Cross Reference as produced by SPRING Cross tool." /> + <expand macro="pdb_source" /> + </inputs> + <outputs> + <data format="pdb" name="output" label="SPRING Model Structure" /> + </outputs> + <tests> + <test> + <param name="first_target" value="model/ACE2_HUMAN.hhr" ftype="hhr" /> + <param name="second_target" value="model/SPIKE_SARS2.hhr" ftype="hhr" /> + <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="cross" value="model/crossreference.txt" /> + <output name="output" file="model/sp|Q9BYF1|ACE2_HUMAN.sp|P0DTC2|SPIKE_SARS2.pdb" /> + </test> + <test> + <param name="first_target" value="model/ACE2_HUMAN.hhr" ftype="hhr" /> + <param name="second_target" value="model/SPIKE_SARS2.hhr" ftype="hhr" /> + <conditional name="pdb_source"> + <param name="pdb_source_selector" value="indexed" /> + <param name="pdb" value="pdb01_model" /> + </conditional> + <param name="cross" value="model/crossreference.txt" /> + <output name="output" file="model/sp|Q9BYF1|ACE2_HUMAN.sp|P0DTC2|SPIKE_SARS2.pdb" /> + </test> + </tests> + <help><![CDATA[ + +**What it does** + +Creates protein complex model from HHsearch threading results. + + ]]> </help> + <expand macro="citations" /> +</tool> \ No newline at end of file