diff spring_model.xml @ 0:7ec607bad681 draft

"planemo upload commit 6158473dbced09024b0a805a7df2c93d47705d87"
author guerler
date Tue, 23 Mar 2021 13:55:00 +0000
parents
children 719931bce361
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+++ b/spring_model.xml	Tue Mar 23 13:55:00 2021 +0000
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+<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>
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