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

CADDSuite version 1.5

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.5/galaxyconfigs/tools/PropertyPlotter.xml	Tue Jul 24 11:08:49 2012 -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="1.5">
+    <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" optional="false" label="input file" type="data" format="mol2/sdf/drf"/>
+        <param name="p1" optional="false" label="name of property 1" area="true" type="text" size="1x15"/>
+        <param name="p2" optional="true" label="Optional: name of property 2" 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>
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