Mercurial > repos > bgruening > openbabel

diff filter/ob_remDuplicates.xml @ 2:125da3a296ca draft default tip

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Uploaded
author bgruening
date Wed, 15 Jul 2015 12:13:08 -0400
parents 527ecd2fc500
children
line wrap: on
line diff
--- a/filter/ob_remDuplicates.xml	Wed Aug 21 03:06:02 2013 -0400
+++ b/filter/ob_remDuplicates.xml	Wed Jul 15 12:13:08 2015 -0400
@@ -5,6 +5,7 @@
         <requirement type="package" version="2.3.2">openbabel</requirement>
     </requirements>
   <command>
+<![CDATA[
     obabel
       -i"${infile.ext}"
        "${infile}"
@@ -12,7 +13,8 @@
       --unique "${descriptor}"
       -O "${outfile}"
       -e
-      2>&#38;1
+      2>&1
+]]>
   </command>
   <inputs>
     <param name="infile" type="data" format="sdf,mol,mol2,cml,inchi,smi" label="Molecular input file"/>
@@ -33,6 +35,7 @@
     </test>
   </tests>
   <help>
+<![CDATA[
 
 .. class:: infomark
 
@@ -64,7 +67,7 @@
 
 .. class:: infomark
 
-**Output** 
+**Output**
 
 Same as input format.
 
@@ -82,5 +85,6 @@
 
 .. _`Open Babel`: http://openbabel.org/wiki/Main_Page
 
+]]>
   </help>
 </tool>