Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/galaxyconfigs/tools/DBExporter.xml @ 5:b7a89b15646f
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author | marcel |
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date | Tue, 12 Jul 2011 10:23:33 -0400 |
parents | ff6df146c0d5 |
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--- 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"/>