# HG changeset patch
# User bgruening
# Date 1557250698 14400
# Node ID c8d8caa9a54d01ca3a4b84dd027f964c2a6bf900
# Parent 11952f619e903f9dcf49b0f100500e8e82fe06ea
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
diff -r 11952f619e90 -r c8d8caa9a54d macros.xml
--- a/macros.xml Mon Sep 03 16:39:47 2018 -0400
+++ b/macros.xml Tue May 07 13:38:18 2019 -0400
@@ -1,9 +1,10 @@
- 2.4.1
+ 2.4.2
openbabel
+ python
@@ -37,6 +38,3 @@
-
-
-
diff -r 11952f619e90 -r c8d8caa9a54d ob_remSmall.xml
--- a/ob_remSmall.xml Mon Sep 03 16:39:47 2018 -0400
+++ b/ob_remSmall.xml Tue May 07 13:38:18 2019 -0400
@@ -1,5 +1,5 @@
-
+ from a library of compounds
macros.xml
@@ -46,7 +46,7 @@
**Hint**
-Some libraries may contain molecules without a 1D/3D descriptor. These molecules may provoke crashes of any other tool. It is strongly adviced to run this tool before proceeding to any further steps.
+Some libraries may contain molecules without a 1D/3D descriptor, which may provoke crashes of any other tool. It is strongly advised to run this tool before proceeding to any further steps.
-----
diff -r 11952f619e90 -r c8d8caa9a54d test-data/2_mol.dat
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2_mol.dat Tue May 07 13:38:18 2019 -0400
@@ -0,0 +1,2 @@
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
diff -r 11952f619e90 -r c8d8caa9a54d test-data/CO.smarts
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/CO.smarts Tue May 07 13:38:18 2019 -0400
@@ -0,0 +1,1 @@
+CO