diff CADDSuite-1.0.1/galaxyconfigs/tools/PropertyModifier.xml @ 5:e30a41af9d2b

Uploaded

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0.1/galaxyconfigs/tools/PropertyModifier.xml	Tue Nov 15 10:53:16 2011 -0500
@@ -0,0 +1,43 @@
+
+<!--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="1.0.1">
+    <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
+ | 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"/>
+    </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>
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