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diff get_pdb.xml @ 0:538790c6c21b draft default tip

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/data_source/get_pdb commit 678c8fe83eb51fb36538c0719fceb9a97999c10f
author bgruening
date Fri, 31 May 2019 06:22:47 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/get_pdb.xml	Fri May 31 06:22:47 2019 -0400
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+<tool id="get_pdb" name="Get PDB file" version="0.1.0">
+    <description>from Protein Data Bank</description>
+    <requirements>
+        <requirement type="package" version="1.20.1">wget</requirement>
+    </requirements>
+    <command detect_errors="exit_code"><![CDATA[
+        wget https://files.rcsb.org/download/${pdb_id}.pdb -O '$output'
+    ]]></command>
+    <inputs>
+        <param name="pdb_id" type="text" label="PDB accession code">
+            <validator type="regex" message="Invalid accession code">^[0-9][a-zA-Z0-9]{3}$</validator>
+        </param>
+    </inputs>
+    <outputs>
+        <data name="output" format="pdb" />
+    </outputs>
+        <tests>
+        <test>
+            <param name="pdb_id" value="1AKI"/>
+            <output name="output" file="1AKI.pdb"/>
+        </test>
+    </tests>
+    <help><![CDATA[
+        Download a protein structure in PDB format from the Protein Data Bank using its four-letter accession code.
+    ]]></help>
+    <citations>
+        <citation type="doi">10.1093/nar/28.1.235</citation>
+    </citations>
+</tool>
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