Mercurial > repos > bgruening > openbabel

diff modify/ob_genProp.xml @ 2:125da3a296ca draft default tip
Uploaded
author: bgruening
date: Wed, 15 Jul 2015 12:13:08 -0400
parents: 527ecd2fc500
--- a/modify/ob_genProp.xml	Wed Aug 21 03:06:02 2013 -0400
+++ b/modify/ob_genProp.xml	Wed Jul 15 12:13:08 2015 -0400
@@ -6,6 +6,7 @@
         <requirement type="package" version="0.1">cheminfolib</requirement>
     </requirements>
     <command interpreter="python">
+<![CDATA[
     ob_genProp.py
       -i "${infile}"
       --iformat "${infile.ext}"
@@ -14,6 +15,7 @@
         --header $output_opts.header
       #end if
       -o "${outfile}"
+]]>
   </command>
   <inputs>
     <param name="infile" type="data" format="sdf,mol,mol2,cml,inchi,smi" label="Select input file with multiple molecules."/>
@@ -51,6 +53,7 @@
     </test>
   </tests>
   <help>
+<![CDATA[
 
 .. class:: infomark
 
@@ -131,5 +134,6 @@
 .. _Silicos: http://openbabel.org/docs/dev/Fingerprints/spectrophore.html
 
 
+]]>
   </help>
 </tool>