Mercurial > repos > bgruening > openbabel

diff modify/remove_protonation_state.xml @ 1:e8dce9596b4c

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Uploaded
author bgruening
date Wed, 27 Mar 2013 15:25:33 -0400
parents 6493d130f018
children ec87a42dccec
line wrap: on
line diff
--- a/modify/remove_protonation_state.xml	Tue Mar 26 14:49:44 2013 -0400
+++ b/modify/remove_protonation_state.xml	Wed Mar 27 15:25:33 2013 -0400
@@ -12,7 +12,7 @@
         <param name="infile" type="data" format="sdf,smi,mol,inchi" label="Molecule file" help="Dataset missing? See TIP below"/>
     </inputs>
     <outputs>
-    <data format="smi" name="outfile"/>
+        <data format_source="infile" name="outfile" />
     </outputs>
     <tests>
         <test>