# HG changeset patch
# User bgruening
# Date 1465058219 14400
# Node ID 65ffed035ca838e387cbb52df36692077c2fb9da
# Parent  18dec59e29aeab733673fa4d151d3329ef1ca6f1
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/autodock_vina commit 5f1e53104d11817b9f1f93c4df17b77c80bd7472

diff -r 18dec59e29ae -r 65ffed035ca8 docking.xml
--- a/docking.xml	Fri Jun 03 16:49:49 2016 -0400
+++ b/docking.xml	Sat Jun 04 12:36:59 2016 -0400
@@ -1,5 +1,5 @@
 <tool id="docking" name="Docking" version="0.1.0">
-    <description>- Tool to running molecular docking with Autodock Vina</description>
+    <description>Tool to running molecular docking with Autodock Vina</description>
     <requirements>
         <requirement type="package" version="1.1.2">autodock-vina</requirement>
     </requirements>
@@ -10,13 +10,13 @@
         vina --config "$box" --receptor "$receptor" --ligand "$ligand" --out "$file_output1" --log "$file_output2"
     ]]></command>
     <inputs>
-        <param type="data" name="box" format="txt" label="Box configuration: " help="Select a text file with the box configurations" />
-        <param type="data" name="receptor" format="pdbqt" label="Receptor: " help="Select a receptor pdbqt file" />
-        <param type="data" name="ligand" format="pdbqt"  label="Ligand: " help="Select a ligand pdbqt file" />
+        <param type="data" name="box" format="txt" label="Box configuration" help="Select a text file with the box configurations" />
+        <param type="data" name="receptor" format="pdbqt" label="Receptor" help="Select a receptor PDBQT format. This can be prepared using the receptor preparation tool." />
+        <param type="data" name="ligand" format="pdbqt"  label="Ligand" help="Select a ligand PDBQT format. This can be prepared using the ligand preparation tool." />
     </inputs>
     <outputs>
-        <data name="file_output1" format="pdbqt" label="#echo (os.path.splitext (str($ligand.name))[0]) + '_-_' + (os.path.splitext (str($receptor.name))[0])#.pdbqt" />
-        <data name="file_output2" format="txt" label="#echo (os.path.splitext (str($ligand.name))[0]) + '_-_' + (os.path.splitext (str($receptor.name))[0])#.log" />
+        <data name="file_output1" format="pdbqt" />
+        <data name="file_output2" format="txt" />
     </outputs>
     <tests>
         <test>
@@ -168,4 +168,4 @@
     <citations>
         <citation type="doi">10.1002/jcc.21334</citation>
     </citations>
-</tool>
\ No newline at end of file
+</tool>