# HG changeset patch
# User bgruening
# Date 1566313084 14400
# Node ID 30c673b5b0611faa830d07a1e661d475e5c546bc
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/PaDEL commit dee96760dea60708d31899d4840191c1e67b5dc7"
diff -r 000000000000 -r 30c673b5b061 PaDEL.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/PaDEL.xml Tue Aug 20 10:58:04 2019 -0400
@@ -0,0 +1,155 @@
+
+ calculator
+
+ padel
+
+ '$descriptor'
+
+]]>
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+ @article{rdkit,
+ author = {Chun Wei Yap},
+ title = {PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints},
+ url ={https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.21707}
+ }
+
+
diff -r 000000000000 -r 30c673b5b061 test-data/test.sdf
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/test.sdf Tue Aug 20 10:58:04 2019 -0400
@@ -0,0 +1,874 @@
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