Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/PropertyModifier.xml @ 7:5b29b679ee6d
Uploaded Version 0.95
| author | marcel |
|---|---|
| date | Tue, 12 Jul 2011 10:29:49 -0400 |
| parents | |
| children | 9ab6da6cd36c |
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| 6:061cbb4a9b05 | 7:5b29b679ee6d |
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| 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="0.95"> | |
| 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" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> | |
| 28 <param name="mode" optional="false" label="'delete', 'add' or 'rename' properties" 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" optional="false" label="property name ('all' will erase all properties if in delete-mode)" area="true" type="text" size="1x15"/> | |
| 34 <param name="value" optional="true" label="Optional: property value (in case of prop. adding only)" area="true" type="text" size="1x15"/> | |
| 35 <param name="new_name" optional="true" label="Optional: new property name (in case of renaming only)" 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> |