# HG changeset patch
# User bgruening
# Date 1557249857 14400
# Node ID 2a8b2002ca5ab6670ed1c3f621e988291bf471fb
# Parent 68a69fb619a1c0446efbac78fc07ea79c4e38f42
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
diff -r 68a69fb619a1 -r 2a8b2002ca5a macros.xml
--- a/macros.xml Mon Sep 03 16:35:31 2018 -0400
+++ b/macros.xml Tue May 07 13:24:17 2019 -0400
@@ -1,9 +1,10 @@
- 2.4.1
+ 2.4.2
openbabel
+ python
@@ -37,6 +38,3 @@
-
-
-
diff -r 68a69fb619a1 -r 2a8b2002ca5a remove_protonation_state.xml
--- a/remove_protonation_state.xml Mon Sep 03 16:35:31 2018 -0400
+++ b/remove_protonation_state.xml Tue May 07 13:24:17 2019 -0400
@@ -35,6 +35,7 @@
Removes the protonation state of every atom.
+
]]>
diff -r 68a69fb619a1 -r 2a8b2002ca5a test-data/2_mol.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2_mol.dat Tue May 07 13:24:17 2019 -0400
@@ -0,0 +1,2 @@
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
diff -r 68a69fb619a1 -r 2a8b2002ca5a test-data/CO.smarts
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/CO.smarts Tue May 07 13:24:17 2019 -0400
@@ -0,0 +1,1 @@
+CO