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<tool id="PaDEL1" name="PaDEL1">
<description>"PaDEL Descriptor Tool"</description>
<command interpreter="perl">padel.pl $input $3d $fingerprint $output</command>
<inputs>
<param format="txt" name="input" type="data" label="sdf_file"/>
  <param name="3d" type="select"  label="calculate 3d descriptors">
	<option value = "0" >NO</option>
	<option value = "1" >yes</option>
  </param>
 <param name="fingerprint" type="select"  label="calculate fingerprints">
        <option value = "0" >NO</option>
        <option value = "1" >yes</option>
 </param>
                  <!--
<param name="3d" type="checkbox" label="Include 3D descriptors" description="add 3D descriptor" value="1" default="0" />
<param name="fingerprint" type="checkbox" label="Include PubChem fingerprints" description="calculate 881 fingerprints" value="1" default="0" />
-->
</inputs>
<outputs>
<data format="txt" name="output"/> 
</outputs>
<help>
run command with sdf file format only and output file will be in CSV format.
</help>
</tool>