Graphical Displays: con't
  Surfaces and Maps

Electron densities, van der Waals surfaces, spin densities, molecular orbitals, electrostatic potentials (and esp from charges) and local ionization potentials may be displayed as isosurfaces or color mapped on top of isosurfaces. Maps are available with continuous color gradient, or discrete bands. Additional clipping features provide a view beneath the calculated surface.

Surfaces and maps may be displayed as opaque or translucent solids, meshes, or as a series of "dots". Area and volume of a displayed surface may be measured and property value at a selected surface location may be measured and posted to Spartan's spreadsheet.

Accessible surface regions may be optionally highlighted, and an alternate definition of polar surface area (termed polar area) based on the value of the electrostatic potential above and below a user-defined lipophilic range is also provided.

  Slices Electron densities, spin densities, molecular orbitals, electrostatic potentials and local ionization potentials may be displayed as contour plots.
  Clipping Planes Custom clipping planes to allow for user controlled buffering of all surface displays.
  Animations Molecular models and associated surfaces, maps and slices for molecules contained within a list may be displayed in sequence. This allows visualizing changes in property throughout a chemical reaction or conformational motion. A "special case", involving motion along the normal mode, is useful for establishing whether a transition state smoothly connects reactants and products. Animations can be exported.
  Multiple Molecules As many molecules as desired may be displayed simultaneously on screen, together with any associated graphics.
  Chemical Function Desctiptors Spartan optionally displays and makes use of CFDs in either alignment or similarity analysis. CFD's are based on standard pharmacophore definitions (hydrogen bond acceptors/donors, positive/negative ionizable centers, aromatic centers, hydrophobic centers, and excluded volume centers, but may also be further customized or user-defined.