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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.-->
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3 <tool id="converter" name="Converter" version="0.94">
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4 <description>interconvert molecular file-formats</description>
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5 <command interpreter="bash"><![CDATA[../../Converter
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6 #if str( $i ) != '' and str( $i ) != 'None' :
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7 -i "$i"
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8 #end if
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9 #if str( $o ) != '' and str( $o ) != 'None' :
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10 -o "$o"
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11 #end if
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12 #if str( $f ) != '' and str( $f ) != 'None' :
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13 -f "$f"
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14 #end if
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15 | tail -n 5
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16 ]]></command>
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17 <inputs>
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18 <param name="i" label="input file" optional="false" type="data" format="mol2/sdf/drf"/>
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19 <param name="f" label="output format" optional="true" type="select">
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20 <option value="mol2">mol2</option>
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21 <option value="sdf">sdf</option>
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22 <option value="drf">drf</option>
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23 <option value="pdb">pdb</option>
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24 <option value="ac">ac</option>
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25 <option value="ent">ent</option>
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26 <option value="brk">brk</option>
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27 <option value="hin">hin</option>
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28 <option value="mol">mol</option>
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29 <option value="xyz">xyz</option>
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30 </param>
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31 </inputs>
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32 <outputs>
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33 <data name="o" format="mol2/sdf/drf">
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34 <change_format>
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35 <when input="f" value="mol2" format="mol2"/>
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36 <when input="f" value="sdf" format="sdf"/>
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37 <when input="f" value="drf" format="drf"/>
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38 <when input="f" value="pdb" format="pdb"/>
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39 <when input="f" value="ac" format="ac"/>
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40 <when input="f" value="ent" format="ent"/>
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41 <when input="f" value="brk" format="brk"/>
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42 <when input="f" value="hin" format="hin"/>
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43 <when input="f" value="mol" format="mol"/>
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44 <when input="f" value="xyz" format="xyz"/>
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45 </change_format>
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46 </data>
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47 </outputs>
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48 <help>This tool can be used to convert between different molecular file-formats.
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49 Supported formats are mol2, sdf, drf, pdb, ac, ent, brk, hin, mol, xyz.</help>
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50 </tool> |
