--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/mol2gspan.xml	Tue Oct 29 11:15:59 2013 -0400
@@ -0,0 +1,41 @@
+<tool id="bg_mol2gspan" name="Molecule to gSpan" version="0.1">
+    <description>converter</description>
+    <parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10" shared_inputs="" merge_outputs="outfile"></parallelism>
+    <requirements>
+        <requirement type="package" version="2.3.2">openbabel</requirement>
+        <requirement type="set_environment">MOL2GSPAN_SCRIPT_PATH</requirement>
+    </requirements>
+    <command>
+
+        #if $infile.ext == 'sdf':
+            python \$MOL2GSPAN_SCRIPT_PATH/mol2gspan.py --infile $infile --outfile $outfile
+
+        #else:
+            obabel -i $infile.ext -o sdf $infile ---errorlevel 1 | python \$MOL2GSPAN_SCRIPT_PATH/mol2gspan.py --infile - --outfile $outfile
+
+        #end if
+
+    </command>
+    <inputs>
+        <param format="smi,sdf,mol,inchi,mol2" name="infile" type="data" 
+            label="Input molecules" help=""/>
+    </inputs>
+    <outputs>
+        <data format="gspan" name="outfile" label="gSpan from ${on_string}"/>
+    </outputs>
+    <tests>
+        <test>
+            <param name="infile" value="3_molceuls.sdf" />
+            <output name="outfile" file="3_molecules.gspan" />
+        </test>
+    </tests>
+    <help>
+
+.. class:: infomark
+
+**What it does** 
+
+That converter will convert arbitratry molecule files to the gSpan format.
+
+    </help>
+</tool>