The DW last updated version of dw550win.zip was locally downloaded (). The biweekly last updates including the DataWarrior.exe, jninnchi.jar, mmtf.jar and opsin.jar were periodically substituted at the DW local directory. DW docking uses MMFF94s+ force-field 46 for energy minimization. MMFF94s+ preserved the molecular geometries (double bonds), in contrast to ADV (data not shown). ( and ).