Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite/galaxyconfigs/tools/Converter.xml @ 7:5b29b679ee6d
Uploaded Version 0.95
author | marcel |
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date | Tue, 12 Jul 2011 10:29:49 -0400 |
parents | |
children | 9ab6da6cd36c |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite/galaxyconfigs/tools/Converter.xml Tue Jul 12 10:29:49 2011 -0400 @@ -0,0 +1,50 @@ + +<!--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="0.95"> + <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 + | 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> + </param> + </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"/> + </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.</help> +</tool> \ No newline at end of file