Refinement and Analysis:
     
  Structure Refinement Energy (strain energy) minimization with MMFF94 molecular mechanics force field, provides fast structure clean-up and assists in building molecules.
     
  Chirality Inversion Assignment of R/S chirality and user specified inversion of both chiral centers and absolute configuration.
     
  Structure Query Measure, post to spreadsheet (and optionally constrain) any distance, angle or dihedral (torsion) angle. Surface area, polar surface area, and molecular volumes may be measured and data posted to Spartan's spreadsheet.
     
  Align Molecules Instant alignment of multiple conformers or molecules based on either molecular structure or chemical function descriptors with alignment scores (rms values) available in dialoques and the Spartan Spreadsheet.
     
  Data Organization Post a full range of calculated molecular properties, or, optionally copy/paste directly to/from other cell-based data organization tools. Tabulated data in Spartan Spreadsheets is available for Linear Regression Analysis.
     
  Plotting 2D and 3D plots are available for all data tabulated in Spartan's spreadsheet.
     
  Spectra Calculated spectra plots for IR, Raman, Proton and 13C NMR, and UV/vis. Additional NMR representations for COSY, HSQC, and HMBC plots.
     
Graphical Displays:  
  Molecular Models

Structures may be displayed in several styles, including: line, wire, ball-and-wire, tube, ball-and-spoke, and space-filling models. User-defined points and planes may be added to the models. Atoms, bonds, and molecules may be custom colored to emphasize specific features, or for highlighting superposition. An arrow may be displayed with the model, indicating the sign and direction of the calculated dipole moment.

     
  Biopolymer Models Display options for polypeptides and polynucleotides, include: ribbons, lines, or beads, with the option to customize color based on secondary structure, strand or residue type. PDB files with explicitly specified ligands will be automatically rendered in ribbon style with ligands displayed. Ligands are available for extraction, along with their environment.
     
  Hydrogen Bonds Optionally displays graphical indicator of inter/intra molecular hydrogen bonds.