Repository 'qed'
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/qed

Changeset 2:fc45bf8b6e01 (2020-07-28)
Previous changeset 1:ab73abead7fa (2019-05-07) Next changeset 3:52a8d34dd08f (2021-07-30)
Commit message:
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/silicos-it/qed commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
modified:
silicos_qed.xml
b
diff -r ab73abead7fa -r fc45bf8b6e01 silicos_qed.xml
--- a/silicos_qed.xml Tue May 07 13:41:23 2019 -0400
+++ b/silicos_qed.xml Tue Jul 28 08:47:05 2020 -0400
[
@@ -1,8 +1,12 @@
-<tool id="ctb_silicos_qed" name="Drug-likeness" version="0.2">
-    <description>quantitative estimation (QED)</description>
+<tool id="ctb_silicos_qed" name="Drug-likeness" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
+    <macros>
+        <token name="@TOOL_VERSION@">2019.03.1</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="2019.03.1">rdkit</requirement>
+        <requirement type="package" version="@TOOL_VERSION@">rdkit</requirement>
     </requirements>
     <command detect_errors="aggressive">
 <![CDATA[