# HG changeset patch
# User bgruening
# Date 1557250728 14400
# Node ID 04da8dc033e1f620d4cf900552d43138cabbcb3d
# Parent  abceed0106cd91dc81ba18afb504afa01f95201f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit ed9b6859de648aa5f7cde483732f5df20aaff90e

diff -r abceed0106cd -r 04da8dc033e1 macros.xml
--- a/macros.xml	Mon Sep 03 16:40:58 2018 -0400
+++ b/macros.xml	Tue May 07 13:38:48 2019 -0400
@@ -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>
-
-
-
diff -r abceed0106cd -r 04da8dc033e1 ob_remIons.xml
--- a/ob_remIons.xml	Mon Sep 03 16:40:58 2018 -0400
+++ b/ob_remIons.xml	Tue May 07 13:38:48 2019 -0400
@@ -1,5 +1,5 @@
 <tool id="openbabel_remIons" name="Remove counterions and fragments" version="@VERSION@.0">
-    <description></description>
+    <description>from a library of compounds</description>
     <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="50000" shared_inputs="" merge_outputs="outfile"></parallelism-->
     <macros>
         <import>macros.xml</import>
@@ -32,7 +32,7 @@
 
 **What this tool does**
 
-Parses a multiple molecules file and deletes any present counterions or fragments.
+Parses a multiple molecules file and deletes any counterions or fragments present.
 
 -----
 
@@ -40,7 +40,7 @@
 
 **Hint**
 
-| Only the **largest fragment** on every molecule is extracted.
+| For each molecule, all fragments except for the largest are deleted.
 |
 | Only molecules with more than 5 heavy atoms are parsed.
 
diff -r abceed0106cd -r 04da8dc033e1 test-data/2_mol.dat
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2_mol.dat	Tue May 07 13:38:48 2019 -0400
@@ -0,0 +1,2 @@
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
+CC(=O)OC1=CC=CC=C1C(=O)[O-]
diff -r abceed0106cd -r 04da8dc033e1 test-data/CO.smarts
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/CO.smarts	Tue May 07 13:38:48 2019 -0400
@@ -0,0 +1,1 @@
+CO