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

Uploaded

--- a/CADDSuite/galaxyconfigs/tools/MolCombine.xml	Tue Jun 28 10:37:20 2011 -0400
+++ b/CADDSuite/galaxyconfigs/tools/MolCombine.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="molcombine" name="MolCombine" version="0.94">
+<tool id="molcombine" name="MolCombine" version="0.95">
     <description>combine molecular files</description>
     <command interpreter="bash"><![CDATA[../../MolCombine 
 #if str( $i1 ) != ''  and str( $i1 ) != 'None' :
@@ -24,15 +24,15 @@
  | tail -n 5
 ]]></command>
     <inputs>
-        <param name="i1" label="input molecule file A" optional="false" type="data" format="mol2/sdf/drf"/>
-        <param name="i2" label="input molecule file B" optional="false" type="data" format="mol2/sdf/drf"/>
-        <param name="mode" label="'intersection', 'union' or 'b_not_a'" optional="false" type="select">
+        <param name="i1" optional="false" label="input molecule file A" type="data" format="mol2/sdf/drf"/>
+        <param name="i2" optional="false" label="input molecule file B" type="data" format="mol2/sdf/drf"/>
+        <param name="mode" optional="false" label="'intersection', 'union' or 'b_not_a'" type="select">
             <option value="intersection">intersection</option>
             <option value="union">union</option>
             <option value="b_not_a">b_not_a</option>
         </param>
-        <param name="ignH" label="ignore hydrogens, i.e. match molecules to any protonation state." optional="true" type="boolean" truevalue="true" falsevalue=""/>
-        <param name="replace_prop" label="replace properties from file 1 w/ those from file 2" optional="true" type="boolean" truevalue="true" falsevalue=""/>
+        <param name="ignH" optional="true" label="ignore hydrogens, i.e. match molecules to any protonation state." type="boolean" truevalue="true" falsevalue="" checked="true"/>
+        <param name="replace_prop" optional="true" label="replace properties from file 1 w/ those from file 2" type="boolean" truevalue="true" falsevalue=""/>
     </inputs>
     <outputs>
         <data name="o" format="mol2/sdf/drf" format_source="i1"/>