Mercurial > repos > bgruening > chemfp

diff chemfp_clustering/nxn_clustering.xml @ 1:43a9e7d9b24f draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/chemfp commit a44c0a13283e873a740eabcad04f021208290dfe-dirty
author bgruening
date Sun, 01 Nov 2015 10:27:01 -0500
parents 354d3c6bb894
children
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--- a/chemfp_clustering/nxn_clustering.xml	Thu Aug 15 03:27:06 2013 -0400
+++ b/chemfp_clustering/nxn_clustering.xml	Sun Nov 01 10:27:01 2015 -0500
@@ -8,6 +8,7 @@
         <requirement type="package" version="2.3.2">openbabel</requirement>
     </requirements>
     <command interpreter='python'>
+<![CDATA[
         nxn_clustering.py
             -i $infile
             -t $threshold
@@ -18,6 +19,7 @@
                 --smatrix $smilarity_matrix
             #end if
             --oformat $oformat
+]]>
     </command>
     <inputs>
         <param name="infile" type="data" format="fps" label="Finperprint dataset" help="Dataset missing? See TIP below"/>
@@ -53,6 +55,7 @@
         </test>
     </tests>
     <help>
+<![CDATA[
 
 .. class:: infomark
 
@@ -117,6 +120,7 @@
 
 .. _chemfp: http://chemfp.com/
 
+]]>
     </help>
 
 </tool>