diff filter/ob_remSmall.xml @ 16:3d3e7c1d0f49

ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Fri, 19 Jul 2013 16:27:52 +0200
parents 6493d130f018
children
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--- a/filter/ob_remSmall.xml	Sat Jun 01 20:02:50 2013 +0200
+++ b/filter/ob_remSmall.xml	Fri Jul 19 16:27:52 2013 +0200
@@ -32,25 +32,39 @@
 
 .. class:: infomark
 
-**What does this tool do?**
+**What this tool does**
 
-  This tool filters a library of compounds and removes small molecules.
+Filters a library of compounds and removes small molecules below a predefined input number of atoms.
 
 -----
 
 .. class:: warningmark
 
-**Tip:** some libraries may contain molecules without 1D/3D descriptor. These molecules may provoke the crashing of any other tool. As a general rule, the user is strongly adviced to run this tool before proceeding to any further step.
+**Hint**
+
+Some libraries may contain molecules without a 1D/3D descriptor. These molecules may provoke crashes of any other tool. It is strongly adviced to run this tool before proceeding to any further steps.
 
 -----
 
 .. class:: infomark
 
-**Output format:** is the same as the input file format.
+**Output**
+
+Same as input format.
 
 -----
 
-**This tool uses OpenBabel:** The Open Babel Package, version 2.3.0 http://openbabel.sourceforge.net/
+.. class:: infomark
+
+**Cite**
+
+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
+
+`Open Babel`_
+
+.. _`Open Babel`: http://openbabel.org/wiki/Main_Page
 
     </help>
 </tool>