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

Uploaded
author marcel
date Tue, 12 Jul 2011 10:23:33 -0400
parents ff6df146c0d5
children
line wrap: on
line diff
--- a/CADDSuite/galaxyconfigs/tools/DBExporter.xml	Tue Jun 28 10:37:20 2011 -0400
+++ b/CADDSuite/galaxyconfigs/tools/DBExporter.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="dbexporter" name="DBExporter" version="0.94 (ob)">
+<tool id="dbexporter" name="DBExporter" version="0.95 (ob)">
     <description>export molecules from data base</description>
     <command interpreter="bash"><![CDATA[../../DBExporter 
 #if str( $o ) != ''  and str( $o ) != 'None' :
@@ -69,26 +69,26 @@
  | tail -n 5
 ]]></command>
     <inputs>
-        <param name="q" label="query molecules for similarity searching" optional="true" type="data" format="mol2/sdf/drf"/>
-        <param name="smarts_file" label="SMARTS pattern" optional="true" type="data" format="data"/>
-        <param name="start_id" label="ID of the first conformation to be exported" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="end_id" label="ID of the last conformation to be exported" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="min_logP" label="minimal logP value" optional="true" type="text" min="-10.000000" max="10.000000" area="true" size="1x5" value=""/>
-        <param name="max_logP" label="maximal logP value" optional="true" type="text" min="-10.000000" max="10.000000" 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="max_mols" label="max. number of molecules to be exported" optional="true" type="text" area="true" size="1x5" value=""/>
-        <param name="target" label="target/dataset name whose molecules should be exported" optional="true" area="true" type="text" size="1x15"/>
-        <param name="min_sim" label="minimal average similarity" optional="true" type="text" min="0.000000" max="1.000000" area="true" size="1x5" value=""/>
-        <param name="max_sim" label="maximal similarity" optional="true" type="text" min="0.000000" max="1.000000" area="true" size="1x5" value=""/>
-        <param name="smarts" label="SMARTS pattern" optional="true" area="true" type="text" size="1x15"/>
-        <param name="uck" label="UCK key" optional="true" area="true" type="text" size="1x15"/>
-        <param name="d" label="database name" optional="false" area="true" type="text" size="1x15"/>
-        <param name="u" label="database username" optional="false" area="true" type="text" size="1x15"/>
-        <param name="h" label="database host" optional="false" area="true" type="text" size="1x15"/>
-        <param name="port" label="database port" optional="true" type="text" area="true" size="1x5" value="3306"/>
-        <param name="p" label="database password" optional="false" area="true" type="text" size="1x15"/>
-        <param name="s" label="show summary of datasets in database" optional="true" type="boolean" truevalue="true" falsevalue=""/>
+        <param name="q" optional="true" label="query molecules for similarity searching" type="data" format="mol2/sdf/drf"/>
+        <param name="smarts_file" optional="true" label="SMARTS pattern" type="data" format="data"/>
+        <param name="start_id" optional="true" label="Optional: ID of the first conformation to be exported" type="text" area="true" size="1x5" value=""/>
+        <param name="end_id" optional="true" label="Optional: ID of the last conformation to be exported" type="text" area="true" size="1x5" value=""/>
+        <param name="min_logP" optional="true" label="Optional: minimal logP value" type="text" min="-10.000000" max="10.000000" area="true" size="1x5" value=""/>
+        <param name="max_logP" optional="true" label="Optional: maximal logP value" type="text" min="-10.000000" max="10.000000" 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="max_mols" optional="true" label="Optional: max. number of molecules to be exported" type="text" area="true" size="1x5" value=""/>
+        <param name="target" optional="true" label="Optional: target/dataset name whose molecules should be exported" area="true" type="text" size="1x15"/>
+        <param name="min_sim" optional="true" label="Optional: minimal average similarity" type="text" min="0.000000" max="1.000000" area="true" size="1x5" value=""/>
+        <param name="max_sim" optional="true" label="Optional: maximal similarity" type="text" min="0.000000" max="1.000000" area="true" size="1x5" value=""/>
+        <param name="smarts" optional="true" label="Optional: SMARTS pattern" area="true" type="text" size="1x15"/>
+        <param name="uck" optional="true" label="Optional: UCK key" area="true" type="text" size="1x15"/>
+        <param name="d" optional="false" label="database name" area="true" type="text" size="1x15"/>
+        <param name="u" optional="false" label="database username" area="true" type="text" size="1x15"/>
+        <param name="h" optional="false" label="database host" area="true" type="text" size="1x15"/>
+        <param name="port" optional="true" label="Optional: database port" type="text" area="true" size="1x5" value="3306"/>
+        <param name="p" optional="false" label="database password" area="true" type="text" size="1x15"/>
+        <param name="s" optional="true" label="show summary of datasets in database" type="boolean" truevalue="true" falsevalue=""/>
     </inputs>
     <outputs>
         <data name="o" format="mol2/sdf/drf"/>