Mercurial > repos > marcel > caddsuite_linux_x86_64

diff CADDSuite/galaxyconfigs/tools/TaGRes-train.xml @ 1:867bf9f815a0

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author g2cmnty@test-web1.g2.bx.psu.edu
date Sun, 26 Jun 2011 13:45:14 -0400
parents bac3c274238f
children
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--- a/CADDSuite/galaxyconfigs/tools/TaGRes-train.xml	Tue Jun 07 16:43:30 2011 -0400
+++ b/CADDSuite/galaxyconfigs/tools/TaGRes-train.xml	Sun Jun 26 13:45:14 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="tagres-train" name="TaGRes-train" version="0.93">
+<tool id="tagres-train" name="TaGRes-train" version="0.94">
     <description>Target-specific Grid-Rescoring, training</description>
     <command interpreter="bash"><![CDATA[../../TaGRes-train 
 #if str( $rec ) != ''  and str( $rec ) != 'None' :
@@ -43,7 +43,7 @@
             <option value="MM">MM</option>
             <option value="PLP">PLP</option>
         </param>
-        <param name="exp" label="property-tag name containing experimentally determined binding-free-energies" optional="false" area="true" type="text" size="1x15"/>
+        <param name="exp" label="property-tag name containing experimentally determined binding-free-energies" optional="false" area="true" type="text" size="1x15" value="binding_free_energy"/>
     </inputs>
     <outputs>
         <data name="o" format="mod"/>