Mercurial > repos > marcel > caddsuite_linux_x86_64

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

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Uploaded
author marcel
date Tue, 12 Jul 2011 10:23:33 -0400
parents ff6df146c0d5
children
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--- a/CADDSuite/galaxyconfigs/tools/WaterFinder.xml	Tue Jun 28 10:37:20 2011 -0400
+++ b/CADDSuite/galaxyconfigs/tools/WaterFinder.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="waterfinder" name="WaterFinder" version="0.94">
+<tool id="waterfinder" name="WaterFinder" version="0.95">
     <description>find strongly bound waters</description>
     <command interpreter="bash"><![CDATA[../../WaterFinder 
 #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="wat" label="input pdb-file containing water molecules (if not part of rec.-file)" optional="true" type="data" format="pdb"/>
-        <param name="ai" label="use ab-initio water search (ignore water in pdb-file), experimental!" optional="true" type="boolean" truevalue="true" falsevalue=""/>
+        <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="wat" optional="true" label="input pdb-file containing water molecules (if not part of rec.-file)" type="data" format="pdb"/>
+        <param name="ai" optional="true" label="use ab-initio water search (ignore water in pdb-file), experimental!" type="boolean" truevalue="true" falsevalue=""/>
     </inputs>
     <outputs>
         <data name="o" format="pdb"/>