Mercurial > repos > recetox > xmsannotator_advanced

diff xmsannotator_macros.xml @ 0:60aec5c0e1ea draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/xmsannotator commit 9c62378416ff3634935e7da4aa97b05d3356d1b5"
author recetox
date Wed, 23 Sep 2020 13:32:17 +0000
parents
children f8b5c1c9661e
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/xmsannotator_macros.xml	Wed Sep 23 13:32:17 2020 +0000
@@ -0,0 +1,27 @@
+<macros>
+    <token name="@TOOL_VERSION@">1.3.2</token>
+    <xml name="requirements">
+        <requirements>
+            <container type="docker">recetox/xmsannotator:latest</container>
+        </requirements>
+    </xml>
+
+    <xml name="annotation">
+        <param name="peaks" type="data" format="h5" label="Peaks" help="Table of peaks to annotate."/>
+        <param name="metabolites" type="data" format="h5" label="Metabolite database"/>
+        <param name="adducts" type="data" format="h5" label="Adduct database"/>
+
+
+        <param name="mz_tolerance_ppm" type="float" value="5" min="0" label="Mass tolerance [ppm]" help="Mass tolerance in ppm for database matching."/>
+    </xml>
+
+    <xml name="output">
+        <data format="h5" name="annotation"/>
+    </xml>
+
+    <xml name="citations">
+        <citations>
+            <citation type="doi">10.1021/acs.analchem.6b01214</citation>
+        </citations>
+    </xml>
+</macros>