Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/galaxyconfigs/tools/Converter.xml @ 3:ff6df146c0d5
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| author | marcel |
|---|---|
| date | Sun, 26 Jun 2011 13:53:57 -0400 |
| parents | |
| children | b7a89b15646f |
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| 2:bbc4a2c1d276 | 3:ff6df146c0d5 |
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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="converter" name="Converter" version="0.94"> | |
| 4 <description>interconvert molecular file-formats</description> | |
| 5 <command interpreter="bash"><![CDATA[../../Converter | |
| 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( $f ) != '' and str( $f ) != 'None' : | |
| 13 -f "$f" | |
| 14 #end if | |
| 15 | tail -n 5 | |
| 16 ]]></command> | |
| 17 <inputs> | |
| 18 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/> | |
| 19 <param name="f" label="output format" optional="true" type="select"> | |
| 20 <option value="mol2">mol2</option> | |
| 21 <option value="sdf">sdf</option> | |
| 22 <option value="drf">drf</option> | |
| 23 <option value="pdb">pdb</option> | |
| 24 <option value="ac">ac</option> | |
| 25 <option value="ent">ent</option> | |
| 26 <option value="brk">brk</option> | |
| 27 <option value="hin">hin</option> | |
| 28 <option value="mol">mol</option> | |
| 29 <option value="xyz">xyz</option> | |
| 30 </param> | |
| 31 </inputs> | |
| 32 <outputs> | |
| 33 <data name="o" format="mol2/sdf/drf"> | |
| 34 <change_format> | |
| 35 <when input="f" value="mol2" format="mol2"/> | |
| 36 <when input="f" value="sdf" format="sdf"/> | |
| 37 <when input="f" value="drf" format="drf"/> | |
| 38 <when input="f" value="pdb" format="pdb"/> | |
| 39 <when input="f" value="ac" format="ac"/> | |
| 40 <when input="f" value="ent" format="ent"/> | |
| 41 <when input="f" value="brk" format="brk"/> | |
| 42 <when input="f" value="hin" format="hin"/> | |
| 43 <when input="f" value="mol" format="mol"/> | |
| 44 <when input="f" value="xyz" format="xyz"/> | |
| 45 </change_format> | |
| 46 </data> | |
| 47 </outputs> | |
| 48 <help>This tool can be used to convert between different molecular file-formats. | |
| 49 Supported formats are mol2, sdf, drf, pdb, ac, ent, brk, hin, mol, xyz.</help> | |
| 50 </tool> |