comparison CADDSuite/galaxyconfigs/tools/PropertyModifier.xml @ 0:8ce0411aaeb3

Uploaded CADDSuite version 0.94
author marcel
date Sun, 26 Jun 2011 14:01:09 -0400
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:8ce0411aaeb3
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="propertymodifier" name="PropertyModifier" version="0.94">
4 <description>modify molecule property tags</description>
5 <command interpreter="bash"><![CDATA[../../PropertyModifier
6 #if str( $i ) != '' and str( $i ) != 'None' :
7 -i "$i"
8 #end if
9 #if str( $o ) != '' and str( $o ) != 'None' :
10 -o "$o"
11 #end if
12 #if str( $mode ) != '' and str( $mode ) != 'None' :
13 -mode "$mode"
14 #end if
15 #if str( $name ) != '' and str( $name ) != 'None' :
16 -name "$name"
17 #end if
18 #if str( $value ) != '' and str( $value ) != 'None' :
19 -value "$value"
20 #end if
21 #if str( $new_name ) != '' and str( $new_name ) != 'None' :
22 -new_name "$new_name"
23 #end if
24 | tail -n 5
25 ]]></command>
26 <inputs>
27 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/>
28 <param name="mode" label="'delete', 'add' or 'rename' properties" optional="false" type="select">
29 <option value="add">add</option>
30 <option value="rename">rename</option>
31 <option value="delete">delete</option>
32 </param>
33 <param name="name" label="property name ('all' will erase all properties if in delete-mode)" optional="false" area="true" type="text" size="1x15"/>
34 <param name="value" label="property value (in case of prop. adding only)" optional="true" area="true" type="text" size="1x15"/>
35 <param name="new_name" label="new property name (in case of renaming only)" optional="true" area="true" type="text" size="1x15"/>
36 </inputs>
37 <outputs>
38 <data name="o" format="mol2/sdf/drf" format_source="i"/>
39 </outputs>
40 <help>With this tools you can add, rename or delete molecule property tags.
41 These tags can for example contain information about scores, binding-free-energy, IDs or names for the resp. molecule.
42 The output of this tool is a molecule file in which the desired property tags have been added/renamed/deleted (as chosen).</help>
43 </tool>