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src/b/i/biskit-2.4/scripts/Dock/hexInput.py   biskit(Download)
 
    ## add surface profiles if not there
    if not rec.atoms.has_key('relASA'):
        flushPrint('\nCalculating receptor surface profile')
        rec_asa = PDBDope( rec )
        rec_asa.addASA()
    if not lig.atoms.has_key('relASA'):