diff search/ob_spectrophore_search.xml @ 2:125da3a296ca draft default tip

Uploaded

--- a/search/ob_spectrophore_search.xml	Wed Aug 21 03:06:02 2013 -0400
+++ b/search/ob_spectrophore_search.xml	Wed Jul 15 12:13:08 2015 -0400
@@ -5,11 +5,13 @@
     <requirement type="package" version="1.7.1">numpy</requirement>
   </requirements>
   <command interpreter="python">
+<![CDATA[
     ob_spectrophore_search.py
       --target $target
       --library $library
       --output $outfile
       --column $column
+]]>
   </command>
   <inputs>
     <param name="target" type="data" format="sdf" label="Target molecule in SDF format (it must contain its Spectrophores(TM) stored as meta-data)"/>
@@ -28,6 +30,7 @@
     </test>
   </tests>
   <help>
+<![CDATA[
 
 .. class:: infomark
 
@@ -59,7 +62,7 @@
 
 .. class:: infomark
 
-**Input** 
+**Input**
 
 The target molecule must be a SD formatted file with the |Spectrophores (TM)| descriptors stored as metadata. Such files can be generated using the *Compute physico-chemical properties* tool.
 
@@ -84,5 +87,6 @@
 .. _`Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit`: http://www.biomedcentral.com/content/pdf/1752-153X-2-5.pdf
 .. _Silicos: http://openbabel.org/docs/dev/Fingerprints/spectrophore.html
 
+]]>
   </help>
 </tool>