diff filter/ob_remIons.xml @ 16:3d3e7c1d0f49

ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Fri, 19 Jul 2013 16:27:52 +0200
parents d051544e94da
children
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--- a/filter/ob_remIons.xml	Sat Jun 01 20:02:50 2013 +0200
+++ b/filter/ob_remIons.xml	Fri Jul 19 16:27:52 2013 +0200
@@ -26,21 +26,37 @@
 
 .. class:: infomark
 
-**What does this tool do?**
+**What this tool does**
+
+Parses a multiple molecules file and deletes any present counterions or fragments.
+
+-----
 
-  This tool parses a multiple molecules file and deletes any counter ion or fragment present in the file.
+.. class:: warningmark
+
+**Hint**
+
+| Only the **largest fragment** on every molecule is extracted.
+| 
+| Only molecules with more than 5 heavy atoms are parsed.
 
 -----
 
 .. class:: infomark
 
-  ... Only the **largest fragment** on every molecule is extracted.
+**Cite**
 
-  ... Only molecules with more than 5 heavy atoms are parsed.
+N M O'Boyle, C Morley and G R Hutchison - `Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit`_
+
+.. _`Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit`: http://journal.chemistrycentral.com/content/2/1/5
 
------
+N M O'Boyle, M Banck, C A James, C Morley, T Vandermeersch, and G R Hutchison - `Open Babel: An open chemical toolbox.`_
+
+.. _`Open Babel: An open chemical toolbox.`: http://www.jcheminf.com/content/3/1/33
 
-**This tool uses Pybel:** N. M. O'Boyle, C. Morley and G. R. Hutchison. Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit Chem. Cent. J. 2008, 2, 5.
+`Open Babel`_
+
+.. _`Open Babel`: http://openbabel.org/wiki/Main_Page
 
     </help>
 </tool>