diff openmg.xml @ 2:beaac0e14c00 draft

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openmg commit ed9b6859de648aa5f7cde483732f5df20aaff90e

--- a/openmg.xml	Sat May 20 12:41:05 2017 -0400
+++ b/openmg.xml	Tue May 07 13:39:24 2019 -0400
@@ -1,7 +1,8 @@
-<tool id="ctb_openmg" name="Open Molecule Generator" version="0.1">
-    <description>Exhaustive generation of chemical structures</description>
+<tool id="ctb_openmg" name="Open Molecule Generator" version="0.2">
+    <description>- exhaustive generation of chemical structures</description>
     <requirements>
         <requirement type="package" version="0.1">openmg</requirement>
+        <requirement type="package">java-jdk</requirement>
     </requirements>
     <command detect_errors="aggressive">
 <![CDATA[
@@ -16,8 +17,8 @@
     <inputs>
         <param argument="-ec" type="text" label="Elemental composition of the molecules to be generated"
             help="e.g. C2H5NO2"/>
-        <param name='fr' type='boolean' truevalue='-fr' falsevalue='' label='Output SD-file containing prescribed one or multiple substructures'
-            help="In the case of multiple substructures, they have to be non-overlapping" />
+        <param name='fr' type='boolean' truevalue='-fr' falsevalue='' label='Output SD-file containing prescribed (single or multiple) substructure(s)'
+            help="In the case of multiple substructures, they must be non-overlapping" />
     </inputs>
     <outputs>
         <data format="sdf" name="outfile" />
@@ -37,8 +38,7 @@
 
 **What this tool does**
 
-Open Molecule Generator - an exhaustive generation of chemical structures 
-
+Takes an molecular formula (such as C6H6, C2H5NO2) and returns all possible structures with this elemental composition.
 
 ]]>
     </help>