# HG changeset patch
# User bgruening
# Date 1557250601 14400
# Node ID 00263ca6ffb8f1c2af2f8bc9055c3a7ed2686f39
# Parent 44488fa95d1d82860f18b97e7e8bdd4ec9201cdc
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
diff -r 44488fa95d1d -r 00263ca6ffb8 macros.xml
--- a/macros.xml Mon Sep 03 16:42:04 2018 -0400
+++ b/macros.xml Tue May 07 13:36:41 2019 -0400
@@ -1,9 +1,10 @@
- 2.4.1
+ 2.4.2
openbabel
+ python
@@ -37,6 +38,3 @@
-
-
-
diff -r 44488fa95d1d -r 00263ca6ffb8 remove_protonation_state.xml
--- a/remove_protonation_state.xml Mon Sep 03 16:42:04 2018 -0400
+++ b/remove_protonation_state.xml Tue May 07 13:36:41 2019 -0400
@@ -35,6 +35,7 @@
Removes the protonation state of every atom.
+
]]>
diff -r 44488fa95d1d -r 00263ca6ffb8 test-data/2_mol.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2_mol.dat Tue May 07 13:36:41 2019 -0400
@@ -0,0 +1,2 @@
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
diff -r 44488fa95d1d -r 00263ca6ffb8 test-data/CO.smarts
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/CO.smarts Tue May 07 13:36:41 2019 -0400
@@ -0,0 +1,1 @@
+CO