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

Uploaded

--- a/CADDSuite/galaxyconfigs/tools/CombiLibGenerator.xml	Tue Jun 28 10:37:20 2011 -0400
+++ b/CADDSuite/galaxyconfigs/tools/CombiLibGenerator.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="combilibgenerator" name="CombiLibGenerator" version="0.94">
+<tool id="combilibgenerator" name="CombiLibGenerator" version="0.95">
     <description>generate combinatorial lib</description>
     <command interpreter="bash"><![CDATA[../../CombiLibGenerator 
 #if str( $i ) != ''  and str( $i ) != 'None' :
@@ -12,7 +12,7 @@
  | tail -n 5
 ]]></command>
     <inputs>
-        <param name="i" label="input combi-lib file" optional="false" type="data" format="data"/>
+        <param name="i" optional="false" label="input combi-lib file" type="data" format="data"/>
     </inputs>
     <outputs>
         <data name="o" format="mol2/sdf/drf"/>
@@ -23,7 +23,6 @@
 
 &lt;scaffold&gt;
       Fc1ccc(cc1)C2=C(C([R1])=NO2)c3ccnc([R2])c3
-      Fc1ccc(cc1)C2=NOC([R1])=C2cccnc([R2])c3
 &lt;moietyR1&gt;
       [R1]C(C)(C)C
 &lt;moietyR2&gt;