Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.0.1/galaxyconfigs/tools/PropertyPlotter.xml @ 5:e30a41af9d2b
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author | marcel |
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date | Tue, 15 Nov 2011 10:53:16 -0500 |
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4:af446ca2d5c6 | 5:e30a41af9d2b |
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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="1.0.1"> | |
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> |