--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/get_pubchem/get_pubchem_as_smiles.xml	Thu Aug 15 03:23:17 2013 -0400
@@ -0,0 +1,36 @@
+<tool id="ctb_pubchem_download_as_smiles" name="PubChem Download" Version="0.1" >
+  <description>as canonical SMILES</description>
+  <command interpreter="python">
+        get_pubchem_as_smiles.py 
+            -o $pubchem_smi 
+            -p 10
+            2>&#38;1
+  </command>
+  <inputs>
+     <param name="infile" type="select" display="radio" size="250" label="Load all pubchem files and convert them to canonical smiles." />
+  </inputs>
+  <outputs>
+     <data format="smi" name="pubchem_smi" />
+  </outputs>
+  <tests>
+  </tests>
+  <help>
+
+.. class:: infomark
+
+**What this tool does**
+
+This tool will fetch one PubChem_ file after another and convert them to canonical SMILES. 
+
+.. _PubChem: http://pubchem.ncbi.nlm.nih.gov/
+
+-----
+
+.. class:: infomark
+
+**Output**
+
+The output will be one large SMILES file.
+  
+  </help>
+</tool>