Update silicos_qed.xml

bgruening · Aug 22, 2024 · f42c982 · f42c982
1 parent f884244
commit f42c982
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/chemicaltoolbox/silicos-it/qed/silicos_qed.xml b/chemicaltoolbox/silicos-it/qed/silicos_qed.xml
@@ -1,9 +1,9 @@
-<tool id="ctb_silicos_qed" name="Drug-likeness" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
+<tool id="ctb_silicos_qed" name="Drug-likeness" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@" profile="23.0">
+    <description>quantitative estimation (QED) with RDKit</description>
     <macros>
         <token name="@TOOL_VERSION@">2024.03.5</token>
         <token name="@GALAXY_VERSION@">0</token>
     </macros>
-    <description>quantitative estimation (QED) with RDKit</description>
     <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism-->
     <requirements>
         <requirement type="package" version="@TOOL_VERSION@">rdkit</requirement>