diff CADDSuite/galaxyconfigs/tools/SimpleRescorer.xml @ 5:b7a89b15646f

Uploaded

--- a/CADDSuite/galaxyconfigs/tools/SimpleRescorer.xml	Tue Jun 28 10:37:20 2011 -0400
+++ b/CADDSuite/galaxyconfigs/tools/SimpleRescorer.xml	Tue Jul 12 10:23:33 2011 -0400
@@ -1,6 +1,6 @@
 
 <!--This is a configuration file for the integration of a CADDSuite tool into Galaxy (http://usegalaxy.org). This file was automatically generated using GalaxyConfigGenerator, so do not bother to make too many manual modifications.-->
-<tool id="simplerescorer" name="SimpleRescorer" version="0.94">
+<tool id="simplerescorer" name="SimpleRescorer" version="0.95">
     <description>rescore docking results</description>
     <command interpreter="bash"><![CDATA[../../SimpleRescorer 
 #if str( $rec ) != ''  and str( $rec ) != 'None' :
@@ -24,11 +24,11 @@
  | tail -n 5
 ]]></command>
     <inputs>
-        <param name="rec" label="receptor pdb-file" optional="false" type="data" format="pdb"/>
-        <param name="rl" label="reference-ligand" optional="false" type="data" format="mol2/sdf/drf"/>
-        <param name="ini" label="configuration file" optional="true" type="data" format="ini"/>
-        <param name="i" label="compounds to be rescored" optional="false" type="data" format="mol2/sdf/drf"/>
-        <param name="function" label="scoring function: 'MM', 'PLP' or 'PB'" optional="true" type="select">
+        <param name="rec" optional="false" label="receptor pdb-file" type="data" format="pdb"/>
+        <param name="rl" optional="false" label="reference-ligand" type="data" format="mol2/sdf/drf"/>
+        <param name="ini" optional="true" label="configuration file" type="data" format="ini"/>
+        <param name="i" optional="false" label="compounds to be rescored" type="data" format="mol2/sdf/drf"/>
+        <param name="function" optional="true" label="scoring function: 'MM', 'PLP' or 'PB'" type="select">
             <option value="MM">MM</option>
             <option value="PLP">PLP</option>
             <option value="PB">PB</option>