Mercurial > repos > bgruening > sucos_docking_scoring

diff sucos_macros.xml @ 0:f8f53668d5a2 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit ef86cfa5f7ab5043de420511211579d03df58645"
author bgruening
date Wed, 02 Oct 2019 12:58:43 -0400
parents
children fe318c648502
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/sucos_macros.xml	Wed Oct 02 12:58:43 2019 -0400
@@ -0,0 +1,19 @@
+<macros>
+    <xml name="citations">
+        <citations>
+            <citation type="doi">10.26434/chemrxiv.8100203.v1</citation>
+            <citation type="bibtex">
+                @article{rdkit,
+                author = {Greg Landrum and others},
+                title = {RDKit: Open-source cheminformatics},
+                url ={http://www.rdkit.org}
+                }</citation>
+        </citations>
+    </xml>
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="2019.03.2.0">rdkit</requirement>
+            <yield />
+        </requirements>
+    </xml>
+</macros>