Mercurial > repos > chemteam > mdanalysis_hbonds

diff macros.xml @ 0:469ad3ea5a5f draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3ff06e3182c3a1546ea0a3b29e0d4383e12169e1
author: chemteam
date: Wed, 03 Apr 2019 15:48:18 -0400
children: 5c38e38dbc35
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/macros.xml	Wed Apr 03 15:48:18 2019 -0400
@@ -0,0 +1,38 @@
+<macros>
+    <token name="@VERSION@">0.19</token>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="0.19.2">mdanalysis</requirement>
+            <yield/>
+        </requirements>
+    </xml>
+    <xml name="analysis_inputs">
+        <param format="dcd" name="dcdin" type="data" label="dcd trajectory input"/>
+        <param format="pdb" name="pdbin" type="data" label="pdb input"/>
+        <yield/>
+    </xml>
+    <xml name="sanitizer">
+        <sanitizer invalid_char="">
+            <valid initial="string.ascii_letters,string.digits"/>
+         </sanitizer>
+         <yield/>
+    </xml>
+    <xml name="sanitizer_resids">
+        <sanitizer invalid_char="">
+            <valid initial="string.digits"/>
+        </sanitizer>
+        <yield/>
+    </xml>
+    <xml name="tests_inputs">
+        <param name="dcdin" value="test.dcd" />
+        <param name="pdbin" value="test.pdb" />
+        <yield/>
+    </xml>
+    <xml name="citations">
+        <citations>
+            <citation type="doi">10.1093/bioinformatics/btz107</citation>
+            <citation type="doi">10.1002/jcc.21787</citation>
+            <yield/>
+        </citations>
+    </xml>
+</macros>