Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/galaxyconfigs/tools/PropertyPlotter.xml @ 0:bac3c274238f
Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author | marcel |
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date | Tue, 07 Jun 2011 16:43:30 -0400 |
parents | |
children | 867bf9f815a0 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite/galaxyconfigs/tools/PropertyPlotter.xml Tue Jun 07 16:43:30 2011 -0400 @@ -0,0 +1,35 @@ + +<!--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="propertyplotter" name="PropertyPlotter" version="0.93"> + <description>plot molecule properties</description> + <command interpreter="bash"><![CDATA[../../PropertyPlotter +#if str( $i ) != '' and str( $i ) != 'None' : + -i "$i" +#end if +#if str( $p1 ) != '' and str( $p1 ) != 'None' : + -p1 "$p1" +#end if +#if str( $p2 ) != '' and str( $p2 ) != 'None' : + -p2 "$p2" +#end if +#if str( $o ) != '' and str( $o ) != 'None' : + -o "$o" +#end if +-quiet + | tail -n 5 +]]></command> + <inputs> + <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/> + <param name="p1" label="name of property 1" optional="false" area="true" type="text" size="1x15"/> + <param name="p2" label="name of property 2" optional="true" area="true" type="text" size="1x15"/> + </inputs> + <outputs> + <data name="o" format="png"/> + </outputs> + <help>PropertyPlotter can be used to generate distribution- or scatter-plots of data contained in molecule property-tags. + +In case you want to create a scatter-plot, specify the name of both property-tags to be used with '-p1' and '-p2'. If you want to generate a distribution plot, just specify '-p1'. +The output graphic will created by use of gnuplot, so make sure to have it installed and in your PATH environment variable. + +The output of this tool is a plot in form of an eps or png-file (as chosen).</help> +</tool> \ No newline at end of file