diff convert/ob_convert.xml @ 16:3d3e7c1d0f49

ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Fri, 19 Jul 2013 16:27:52 +0200
parents ec87a42dccec
children c09a44237bd5
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--- a/convert/ob_convert.xml	Sat Jun 01 20:02:50 2013 +0200
+++ b/convert/ob_convert.xml	Fri Jul 19 16:27:52 2013 +0200
@@ -425,18 +425,33 @@
     </outputs>
     <help>
 
-**What it does**
+.. class:: infomark
+
+**What this tool does**
+
+The compound converter joins several `Open Babel command prompt converters`_ in an easy to use tool. It converts various chemistry and moleculare modeling data files. The output format can be specified as well as several parameters. Some parameters are available for all tools (e.g. protonation state & pH) others are specific for a given output format (e.g. exclude isotopes for conversion to canSMI).
 
-Interconvert between many file formats used in molecular modeling and computational chemistry and related areas. A few output filetypes provides additional parameters.
-If you are missing some options please contact your administrator or the ChemicalToolBoX team.
+-----
+
+.. class:: infomark
 
+**Output**
+
+Can be specified manually.
 
-**References**
+-----
+
+.. 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." J. Cheminf. (2011), 3, 33. `DOI:10.1186/1758-2946-3-33`_
-The Open Babel Package http://openbabel.sourceforge.net/
+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
 
-.. _DOI:10.1186/1758-2946-3-33: http://www.jcheminf.com/content/3/1/33
+`Open Babel`_
+
+.. _`Open Babel`: http://openbabel.org/wiki/Main_Page
 
 
   </help>