<tool id="drawSMI_plidflow" name="PLIDflow: Draw SMI">
  <description>Plot an SMI chain using the Rdkit package</description>
  <requirements>
    <requirement type="package" >rdkit</requirement>
  </requirements>

  <inputs>
	  <param name="smi" type="data" format="smi" label="Drug SMI file" help="Input an SMI file that will be plotted"/>
  </inputs>
  <command><![CDATA[


	  cp $smi ${smi}.smi ;


	  ${__tool_directory__}/scripts/CONDA_RDKIT_ENV/bin/python ${__tool_directory__}/scripts/draw_mol.py ${smi}.smi ${smipng}.png ;

	  mv ${smipng}.png $smipng ;

	  rm ${smi}.smi ; 


 
	  ]]> </command>


  <outputs>
    <data name="smipng" format="png" label="PNG plot of the SMI file"/>
  </outputs>
</tool>