diff get_pdb.xml @ 0:2538366eb8fb draft default tip

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/data_source/get_online_data commit aed18d7d09e332efe57d00b33c2b8249abefaedb

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/get_pdb.xml	Wed May 22 07:43:41 2019 -0400
@@ -0,0 +1,29 @@
+<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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