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

Uploaded

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/CADDSuite-1.0.1/galaxyconfigs/tools/Converter.xml	Tue Nov 15 10:53:16 2011 -0500
@@ -0,0 +1,74 @@
+
+<!--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="converter" name="Converter" version="1.0.1">
+    <description>interconvert molecular file-formats</description>
+    <command interpreter="bash"><![CDATA[../../Converter 
+#if str( $i ) != ''  and str( $i ) != 'None' :
+   -i "$i"
+#end if
+#if str( $o ) != ''  and str( $o ) != 'None' :
+   -o "$o"
+#end if
+#if str( $f ) != ''  and str( $f ) != 'None' :
+   -f "$f"
+#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="f" optional="true" label="output format" type="select">
+            <option value="mol2">mol2</option>
+            <option value="sdf">sdf</option>
+            <option value="drf">drf</option>
+            <option value="pdb">pdb</option>
+            <option value="ac">ac</option>
+            <option value="ent">ent</option>
+            <option value="brk">brk</option>
+            <option value="hin">hin</option>
+            <option value="mol">mol</option>
+            <option value="xyz">xyz</option>
+            <option value="mol2.gz">mol2.gz</option>
+            <option value="sdf.gz">sdf.gz</option>
+            <option value="drf.gz">drf.gz</option>
+            <option value="pdb.gz">pdb.gz</option>
+            <option value="ac.gz">ac.gz</option>
+            <option value="ent.gz">ent.gz</option>
+            <option value="brk.gz">brk.gz</option>
+            <option value="hin.gz">hin.gz</option>
+            <option value="mol.gz">mol.gz</option>
+            <option value="xyz.gz">xyz.gz</option>
+        </param>
+        <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">
+            <change_format>
+                <when input="f" value="mol2" format="mol2"/>
+                <when input="f" value="sdf" format="sdf"/>
+                <when input="f" value="drf" format="drf"/>
+                <when input="f" value="pdb" format="pdb"/>
+                <when input="f" value="ac" format="ac"/>
+                <when input="f" value="ent" format="ent"/>
+                <when input="f" value="brk" format="brk"/>
+                <when input="f" value="hin" format="hin"/>
+                <when input="f" value="mol" format="mol"/>
+                <when input="f" value="xyz" format="xyz"/>
+                <when input="f" value="mol2.gz" format="mol2.gz"/>
+                <when input="f" value="sdf.gz" format="sdf.gz"/>
+                <when input="f" value="drf.gz" format="drf.gz"/>
+                <when input="f" value="pdb.gz" format="pdb.gz"/>
+                <when input="f" value="ac.gz" format="ac.gz"/>
+                <when input="f" value="ent.gz" format="ent.gz"/>
+                <when input="f" value="brk.gz" format="brk.gz"/>
+                <when input="f" value="hin.gz" format="hin.gz"/>
+                <when input="f" value="mol.gz" format="mol.gz"/>
+                <when input="f" value="xyz.gz" format="xyz.gz"/>
+            </change_format>
+        </data>
+    </outputs>
+    <help>This tool can be used to convert between different molecular file-formats.
+Supported formats are mol2, sdf, drf, pdb, ac, ent, brk, hin, mol, xyz, mol2.gz, sdf.gz, drf.gz, pdb.gz, ac.gz, ent.gz, brk.gz, hin.gz, mol.gz, xyz.gz.</help>
+</tool>
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