SPARTAN has a single, fully-featured GUI that many consider to be the
best in the business. In very little time, you can build and manipulate
molecules, display computed graphics, and see the answers to your most
complex chemistry questions.
Molecules can be constructed in minutes using graphical "builders" that provide
fast and easy access to a wide range of elements and hybridizations.
(Organics) Builder. Uses 20 basic atomic fragments (e.g., sp
3 carbon) to
allow building of most common organic structures. Included with the Entry
builder is a selection of molecular fragments divided into Groups
(e.g., "Ester") and Rings (e.g., "Phenanthryl") to make building even easier.
Builder. Access to 20 natural amino acids and their stereoisomers for rapid
construction of polypeptide chains.
Builder. Adding to the power of the Entry and Peptide builders, the
Expert builder facilitates rapid building of inorganic and organometallic
molecules. Includes modifiable hybridizations, a library
of Ligands (e.g., "Cyclopentadienyl"), rapid bond editing, and more.
Builder. This new builder allows for the rapid building of
single and double-stranded DNA and RNA helices with just a few clicks of the
mouse. Related displays will (in SPARTAN 5.1) include ribbon graphics for
easier viewing of large strands.
Builder. SPARTAN 5.0 builders can access your own libraries of molecules
and molecular fragments. This makes building easier and faster than ever
before. Included is a library of transition states for common organic
Builder. A new tool to rapidly assemble sets of
molecules which differ by substitution.
Transition States Builder. Automatic transition state guesses using
the Linear Synchronous Transit method
Crystal/Solids Builder (SPARTAN 5.1).
Fast Minimization. Molecular mechanics minimization for
preliminary structure refinement using either the SYBYL or the Merck Molecular
Force Field (MMFF).
New spreadsheets for output and analysis of molecules and molecular
1. Wide variety of properties for QSAR analysis.
2. Property plots
along x and y axes, which may incorporate related molecular graphics.
3. Standard statistical analysis, including linear regression.
4. Import/Export of spreadsheet tables to Microsoft Excel and as
Multiple Model Display
Properties. Display of calculated properties, including geometrical
parameters, volumes and surface areas, dipole moments, and atomic charges.
Surfaces. Display of isosurfaces including electron densities,
spin densities, electrostatic and polarization potentials, and molecular
orbitals. Each surface can be viewed in a variety of
The best slices since sliced bread. Display all properties listed under
"Surfaces" as single or multiple 2D countours or slices.
In addition to continuous surface property maps, SPARTAN 5.0 allows you to
texture map discrete bands of information to surfaces.
Reaction Animation. Molecular and graphical models generated and
animated along reaction coordinates for a list of molecules.
Mapping of one property to an isosurface of
another property, which means that one property is color-coded by another.
Two beautiful examples are a map of the electrostatic potential of
to an electron density surface, and a map of the spin density of
4-Pentynel Radical on its electron density surface.
Vibration Animation. Molecular and graphical models animated along
vibrational coordinates for a list of molecules.
Stereo 3D Display
graphics in stereo 3D using colored glasses.
Multiple Molecules. Have as many molecules in the main viewing
window as you want. Manipulate singly or in concert.
Interfaces. Seamless access to Gaussian92 and Gaussian94.
Other GUI Features:
Import and Export. Rapid conversion of PDB, and SYBYL Mol., SYBYL Mol2,
and MACROMODEL molecular structure files.
PICT Graphics. Export of rgb formatted graphics files.
OSF/Motif Toolkit. SPARTAN makes use of the OSF/Motif toolkit,
the most widely used toolkit for X-Windows programs. This makes the user
interface easy to use, reliable, and easier to learn for users of
other common X-Windows programs.
X-Windows Support. Remote GUIs (sold separately) provide
complete 3-D visualization through X-windows as well as GL and OPENGL.
This allows any machine that has an X server to display SPARTAN graphics,
including PCs and Macintoshes. The X-Window system will even perform stereo
rendering compatible with the colored lens glasses.