Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/galaxyconfigs/tools/CombiLibGenerator.xml @ 5:b7a89b15646f
Uploaded
author | marcel |
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date | Tue, 12 Jul 2011 10:23:33 -0400 |
parents | ff6df146c0d5 |
children |
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--- 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 @@ <scaffold> Fc1ccc(cc1)C2=C(C([R1])=NO2)c3ccnc([R2])c3 - Fc1ccc(cc1)C2=NOC([R1])=C2cccnc([R2])c3 <moietyR1> [R1]C(C)(C)C <moietyR2>