Mercurial > repos > chemteam > mdanalysis_dihedral

diff dihedrals.xml @ 2:2fff8653412f draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 8e1fece3eaef36823e90f5d10f8bb8b809544c55
author chemteam
date Sun, 13 Jan 2019 03:23:55 -0500
parents f95d4348ed7c
children d8178fe9aaff
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--- a/dihedrals.xml	Thu Dec 20 06:49:06 2018 -0500
+++ b/dihedrals.xml	Sun Jan 13 03:23:55 2019 -0500
@@ -56,14 +56,10 @@
             <param name="segid3" value="HET"/>
             <param name="resid3" value="3"/>
             <param name="name3" value="C2"/>
-            <param name="segid3" value="HET"/>
-            <param name="resid3" value="3"/>
-            <param name="name3" value="C3"/>
-            <output name="output">
-              <assert_contents>
-                <has_n_columns n="2" />
-              </assert_contents>
-             </output>
+            <param name="segid4" value="HET"/>
+            <param name="resid4" value="3"/>
+            <param name="name4" value="C3"/>
+            <output name="output" file="Dihedral_analysis_raw_data.tabular" />
         </test>
     </tests>
     <help><![CDATA[