Mercurial > repos > marcel > caddsuite_linux_x86_64

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

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Uploaded
author marcel
date Tue, 12 Jul 2011 10:23:33 -0400
parents bac3c274238f
children
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--- a/CADDSuite/galaxyconfigs/tools/MolFilter.xml	Tue Jun 28 10:37:20 2011 -0400
+++ b/CADDSuite/galaxyconfigs/tools/MolFilter.xml	Tue Jul 12 10:23:33 2011 -0400
@@ -40,16 +40,16 @@
  | tail -n 5
 ]]></command>
     <inputs>
-        <param name="i" label="input molecule-file" optional="false" type="data" format="mol2/sdf/drf"/>
-        <param name="q" label="query molecules for similarity searching" optional="true" type="data" format="txt"/>
-        <param name="smarts_file" label="SMARTS pattern" optional="true" type="data" format="data"/>
-        <param name="min_logP" label="minimal logP value" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="max_logP" label="maximal logP value" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="min_MW" label="minimal molecular weight" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="max_MW" label="maximal molecular weight" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="min_sim" label="minimal average similarity" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="max_sim" label="maximal similarity" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="smarts" label="SMARTS pattern" optional="true" area="true" type="text" size="1x15"/>
+        <param name="i" optional="false" label="input molecule-file" type="data" format="mol2/sdf/drf"/>
+        <param name="q" optional="true" label="query molecules for similarity searching" type="data" format="txt"/>
+        <param name="smarts_file" optional="true" label="SMARTS pattern" type="data" format="data"/>
+        <param name="min_logP" optional="true" label="Optional: minimal logP value" type="text" area="true" size="1x5" value=""/>
+        <param name="max_logP" optional="true" label="Optional: maximal logP value" type="text" area="true" size="1x5" value=""/>
+        <param name="min_MW" optional="true" label="Optional: minimal molecular weight" type="text" area="true" size="1x5" value=""/>
+        <param name="max_MW" optional="true" label="Optional: maximal molecular weight" type="text" area="true" size="1x5" value=""/>
+        <param name="min_sim" optional="true" label="Optional: minimal average similarity" type="text" area="true" size="1x5" value=""/>
+        <param name="max_sim" optional="true" label="Optional: maximal similarity" type="text" area="true" size="1x5" value=""/>
+        <param name="smarts" optional="true" label="Optional: SMARTS pattern" area="true" type="text" size="1x15"/>
     </inputs>
     <outputs>
         <data name="o" format="mol2/sdf/drf" format_source="i"/>