0
+ − 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>
