Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.5/galaxyconfigs/tools/DBImporter.xml @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.5/galaxyconfigs/tools/DBImporter.xml Tue Jul 24 11:08:49 2012 -0400 @@ -0,0 +1,66 @@ + +<!--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="dbimporter" name="DBImporter" version="1.5 (ob)"> + <description>import molecules into data base</description> + <command interpreter="bash"><![CDATA[../../DBImporter +#if str( $i ) != '' and str( $i ) != 'None' : + -i "$i" +#end if +#if str( $o ) != '' and str( $o ) != 'None' : + -o "$o" +#end if +#if str( $target ) != '' and str( $target ) != 'None' : + -target "$target" +#end if +#if str( $d ) != '' and str( $d ) != 'None' : + -d "$d" +#end if +#if str( $u ) != '' and str( $u ) != 'None' : + -u "$u" +#end if +#if str( $h ) != '' and str( $h ) != 'None' : + -h "$h" +#end if +#if str( $port ) != '' and str( $port ) != 'None' : + -port "$port" +#end if +#if str( $p ) != '' and str( $p ) != 'None' : + -p "$p" +#end if +#if str( $vn ) != '' and str( $vn ) != 'None' : + -vn "$vn" +#end if +#if str( $vid ) != '' and str( $vid ) != 'None' : + -vid "$vid" +#end if +#if str( $vd ) != '' and str( $vd ) != 'None' : + -vd "$vd" +#end if +#if str( $vu ) != '' and str( $vu ) != 'None' : + -vu "$vu" +#end if +#if str( $run_clustering ) != '' and str( $run_clustering ) != 'None' : + -run_clustering +#end if + | tail -n 5 +]]></command> + <inputs> + <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> + <param name="target" optional="true" label="Optional: target/dataset name whose molecules should be exported" 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="vn" optional="true" label="Optional: name of compound vendor" area="true" type="text" size="1x15"/> + <param name="vid" optional="true" label="Optional: name of vendor's compound-ID tag in sd-file" area="true" type="text" size="1x15"/> + <param name="vd" optional="true" label="Optional: vendor library date or version" area="true" type="text" size="1x15"/> + <param name="vu" optional="true" label="Optional: url from wich vendor library was obtained" area="true" type="text" size="1x15"/> + <param name="run_clustering" optional="true" label="cluster entire database after importing compounds" type="boolean" truevalue="true" falsevalue=""/> + </inputs> + <outputs> + <data name="o" format="txt"/> + </outputs> + <help>This tool imports molecules into a database. +As input we need the file containing the molecules to be imported in sd-, mol2- or drf-format.</help> +</tool> \ No newline at end of file