Spartan'06 Essential is the latest release of Spartan developed for undergraduate Molecular Modeling labs. In addition to the performance, stability, and functionality provided by more than 16 years of professional software development, the following New Features have been added.

   
  Graphical User Interface Features:
Experimental IR spectra available from NIST (on-line) database
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Available scaling of both calculated and experimental spectra
Retrieval of protein / nucleic acids from RCSB Protein Data Bank
Spartan Molecular Database extended to > 140,000 molecules. New search by name, formula, weight, and isomer options
Spartan Reaction Database - more than 1500 substructure searchable reaction types
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spacer Automatic inversion of absolute configuration (enantiomer conversion)
  New alignment score reporting in the Spartan Essential spreadsheet
   
Computational Enhancements:
   
  New RM1 Semi Empirical Recife Model 1, Reparameterization of AM1 with improved performance
     
  New Solvation Method   MMFFaq provides structures utilizing the MMFF forcefield and adds solvation energy from the Cramer Truhlar SM5OR model, allowing for sorting of conformation with solvent taken into account
     
  Boltzmann Distributions The Spartan Spreadsheet now provides both gas and aquesous Boltzmann Distributions for groups of molecules
     
  Accessible Surface Area Surface Properties now included reporting of accessible surface area and optionally will graphically demark inaccessible regions for calculated electronic surfaces