Mercurial > repos > bgruening > openbabel_remduplicates

diff ob_remDuplicates.xml @ 7:65254472e5b4 draft

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
author bgruening
date Tue, 07 May 2019 13:36:16 -0400
parents 75d6c2b7907a
children 50ca8845e7f5
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--- a/ob_remDuplicates.xml	Mon Sep 03 16:43:39 2018 -0400
+++ b/ob_remDuplicates.xml	Tue May 07 13:36:16 2019 -0400
@@ -1,5 +1,5 @@
 <tool id="openbabel_remDuplicates" name="Remove duplicated molecules" version="@VERSION@.0">
-    <description></description>
+    <description>from a library of compounds</description>
     <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism-->
     <macros>
         <import>macros.xml</import>
@@ -60,7 +60,7 @@
 | - `InChI`_
 | - `SMILES Format`_
 
-.. _InChI: http://www.iupac.org/home/publications/e-resources/inchi.html
+.. _InChI: https://en.wikipedia.org/wiki/International_Chemical_Identifier
 .. _SMILES Format: http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification
 
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