Repository 'openbabel_remove_protonation_state'
hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_remove_protonation_state

Changeset 7:00263ca6ffb8 (2019-05-07)
Previous changeset 6:44488fa95d1d (2018-09-03) Next changeset 8:adc3b24c083f (2019-05-10)
Commit message:
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e
modified:
macros.xml
remove_protonation_state.xml
added:
test-data/2_mol.dat
test-data/CO.smarts
b
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
b
@@ -1,9 +1,10 @@
 <macros>
-    <token name="@VERSION@">2.4.1</token>
+    <token name="@VERSION@">2.4.2</token>
 
     <xml name="requirements">
         <requirements>
             <requirement type="package" version="2.4.1">openbabel</requirement>
+            <requirement type="package" version="3">python</requirement>
             <yield />
         </requirements>
     </xml>
@@ -37,6 +38,3 @@
         </citations>
     </xml>
 </macros>
-
-
-
b
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
b
@@ -35,6 +35,7 @@
 Removes the protonation state of every atom.
 
 
+
 ]]>
     </help>
     <expand macro="citations"/>
b
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-]
b
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
b
@@ -0,0 +1,1 @@
+CO