Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.5/galaxyconfigs/tools/PropertyModifier.xml @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.5/galaxyconfigs/tools/PropertyModifier.xml Tue Jul 24 11:08:49 2012 -0400 @@ -0,0 +1,47 @@ + +<!--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="propertymodifier" name="PropertyModifier" version="1.5"> + <description>modify molecule property tags</description> + <command interpreter="bash"><![CDATA[../../PropertyModifier +#if str( $i ) != '' and str( $i ) != 'None' : + -i "$i" +#end if +#if str( $o ) != '' and str( $o ) != 'None' : + -o "$o" +#end if +#if str( $mode ) != '' and str( $mode ) != 'None' : + -mode "$mode" +#end if +#if str( $name ) != '' and str( $name ) != 'None' : + -name "$name" +#end if +#if str( $value ) != '' and str( $value ) != 'None' : + -value "$value" +#end if +#if str( $new_name ) != '' and str( $new_name ) != 'None' : + -new_name "$new_name" +#end if +#if str( $rm ) != '' and str( $rm ) != 'None' : + -rm +#end if + | tail -n 5 +]]></command> + <inputs> + <param name="i" optional="false" label="input file" type="data" format="mol2/sdf/drf"/> + <param name="mode" optional="false" label="'delete', 'add' or 'rename' properties" type="select"> + <option value="add">add</option> + <option value="rename">rename</option> + <option value="delete">delete</option> + </param> + <param name="name" optional="false" label="property name ('all' will erase all properties if in delete-mode)" area="true" type="text" size="1x15"/> + <param name="value" optional="true" label="Optional: property value (in case of prop. adding only)" area="true" type="text" size="1x15"/> + <param name="new_name" optional="true" label="Optional: new property name (in case of renaming only)" area="true" type="text" size="1x15"/> + <param name="rm" optional="true" label="remove input file when finished" type="boolean" truevalue="true" falsevalue=""/> + </inputs> + <outputs> + <data name="o" format="mol2/sdf/drf" format_source="i"/> + </outputs> + <help>With this tools you can add, rename or delete molecule property tags. +These tags can for example contain information about scores, binding-free-energy, IDs or names for the resp. molecule. +The output of this tool is a molecule file in which the desired property tags have been added/renamed/deleted (as chosen).</help> +</tool> \ No newline at end of file