comparison CADDSuite-1.5/galaxyconfigs/tools/PropertyPlotter.xml @ 15:ac342506cd4e draft

CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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14:55c32b55c2c2 15:ac342506cd4e
1
2 <!--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.-->
3 <tool id="propertyplotter" name="PropertyPlotter" version="1.5">
4 <description>plot molecule properties</description>
5 <command interpreter="bash"><![CDATA[../../PropertyPlotter
6 #if str( $i ) != '' and str( $i ) != 'None' :
7 -i "$i"
8 #end if
9 #if str( $p1 ) != '' and str( $p1 ) != 'None' :
10 -p1 "$p1"
11 #end if
12 #if str( $p2 ) != '' and str( $p2 ) != 'None' :
13 -p2 "$p2"
14 #end if
15 #if str( $o ) != '' and str( $o ) != 'None' :
16 -o "$o"
17 #end if
18 -quiet
19 | tail -n 5
20 ]]></command>
21 <inputs>
22 <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/>
23 <param name="p1" optional="false" label="name of property 1" area="true" type="text" size="1x15"/>
24 <param name="p2" optional="true" label="Optional: name of property 2" area="true" type="text" size="1x15"/>
25 </inputs>
26 <outputs>
27 <data name="o" format="png"/>
28 </outputs>
29 <help>PropertyPlotter can be used to generate distribution- or scatter-plots of data contained in molecule property-tags.
30
31 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'.
32 The output graphic will created by use of gnuplot, so make sure to have it installed and in your PATH environment variable.
33
34 The output of this tool is a plot in form of an eps or png-file (as chosen).</help>
35 </tool>