ODYSSEY (v.6)

SpartanStudent Edition (v.7)

Platforms
WindowsmacOS / OS X

Win 7 or newer
10.8 or newer

Win 7 or newer
10.9.5 or newer

3D Visualization
Styles (Wire, Ball&Spoke, Space Filling, etc.)
Models Side-by-SideMultiple Styles in Same Model
Synchronize Side-by-Side Simulations
Scroll through Daisy-Chained Models
Align Similar Molecules

52-4
Via EditSelect
Selected Examples
No5
Any Number
Via Properties Dialog
N/A
Any List of Models
Show Hydrogen Bonding, Show Dipoles
Show Idealized Lone Pair PositionsShow Collisions, Show Reactive EventsShow Velocity Vectors, Show Trajectories
Emphasize H-Bonds/Dipoles/Collisions
Ribbons for Biopolymers
Chirality LabelsSelected Models


NoN/AN/ANo

Red-Green-Blue Color Scale (for Isosurfaces)
Red-White-Blue Color Scale (for Isosurfaces)
Custom Ranges for Property Maps


NoNo





Hyperlinkable from PowerPoint
Export of JPG/PNG/BMP Images
SMILES Export (EXPERT Setting)
Quicktime Recording
Declare Custom Colors
Anaglyph Red-Blue Stereo

No


No


Changing Parameters
Change Bond Length, Graphically Driven
Change Torsion Angle, Graphically Driven
Set Bond Length, Numerical Entry
Set Bond Angle, Numerical Entry
Set Torsion Angle, Numerical Entry


NoNoNoIn Build ModeIn Build Mode

Move Molecules Relative to Each Other
Change Temperature
Change Simulation Cell Volume
Change Numbers of Molecules
Change Time Step (to Slow Down Motion)






In Build Mode
N/A
N/A
N/A
N/A

ODYSSEY

SpartanStudent Edition

Building New Models
2D Sketcher
3D Entry-Level Builder
3D Advanced/Inorganic Builder
3D Crystal Builder (Solids)
3D Disordered Phase Builder (Gases, Liquids)
3D Peptide Builder
3D Nucleotide BuilderNo
52 Templates
Simplified
Simplified

NoNo


Maximum Number of Atoms, General
Maximum Number of Atoms, Crystal Builder

9,999 (per Atom Type)
1,500

No Limit
N/A
NoNoNo

Any Molecule
For Molecules in DatabaseFor Molecules in Database
For Molecules in Database
N/ANo

PDB File Import
CACTUS Chemical Structure Lookup
ChemDraw Import
Spartan Database Search
SMILES Import

Drag and Drop
No
Drag and Drop
No
Drag and Drop

By PDB ID
By NameIntegrated
IntegratedDrag and Drop

New User Tutorials (for Building Models)

25 Built-In Lessons

PDF Files

Chemical Validity Check
Build with Clipboard
Define Planes and Virtual Points
Name Acyclic Organic Molecules
Name Other Molecules
IUPAC or Common Names (for Built-In Models)
Add Arbitrary Labels

Molecular Mechanics
Find Local Energy Minimum
Calculate Normal Modes
Set Constraints
Calculate Conformer Distribution

Single-ClickNoNoNo

Single-ClickYes (Job Submission)

Molecular Dynamics
Start Interactive Simulation
Control Simulation Speed with Slider
Recommended Maximum Number of Atoms

Single-Click~1,000No
N/A
N/A

Translational and Rotational Motion
Intramolecular Vibrational Motion
Periodic Boundaries for Condensed Phases

AlwaysN/ACan Show Normal Modes
NoYes (Unless Constrained)ODYSSEY

SpartanStudent Edition

Electronic Structure
Calculate (from Quantum Mechanics)
Semiempirical Model (PM3)Hartree-Fock ModelDFT (B3LYP and EDF2)
Moller-Plesset (MP2)Single-Click
Up to 30 Atoms
NoNo

Job Submission
Up to 75 Atoms
Up to 30 Atoms
Up to 30 Atoms
Up to 20 Atoms

Electron Density Isosurfaces
Arbitrary Isovalue for Surfaces
Polarity Maps (Electrostatic Potential Maps)

No





Atomic Orbitals
Cross-Sections ("Slices")
Molecular Orbitals
Electrostatic Potentials, Spin Densities
LUMO Maps, Ionization Potentials

Pre-Calculated Examples
Pre-Calculated Examples
Pre-Calculated Examples
Pre-Calculated Examples
No




Choice of Basis Set
Inclusion of Solvent (Continuum Model)
Control over Graphical Resolution
Time Estimates (for Submitted Calculations)

NoNo
No
N/A




Distances, Angles, and Torsion Angles
Atomic/Molecular Properties
Thermodynamic Properties
Dynamic Properties
QSAR Properties



No


N/A

Symmetry Detection (Point Groups)
Extended Property List (EXPERT Setting)
Orbital Energy Diagrams

NoNo
N/A

Integrated Spreadsheet
Export to Excel

NoN/A




XY Plots
Linear Regression
Polymial Fit
Lorentzian Fit, Gaussian Fit, Other Fits
Reciprocal and Logarithmic Axes
Radial Distribution Function (EXPERT Setting)Ramachandran Plots
Kinetic Energy/Speed Histograms



No

No





NoNo
N/A

IR Spectra
NMR Spectra (Proton and C-13)

NoNo


(Always Followed by HF)

AnalysisODYSSEYSpartan
Student EditionChemical Reactions
Reaction Dynamics at Set Temperature
Dynamic Equilibria
Examine Reaction Profiles
Find Transition States

Selected Examples
Selected Examples
Selected Examples
NoNoNoIntegrated ContentPrebuilt Models (Molecules, Bulk Samples)> 3,000

No

Quick Visuals (Demonstrations)
Molecular Labs (Worksheets)
Concepts & Applications (Essays and Models)
Molecular Stockroom

> 120
> 120
> 160


NoNo
NoNo

New User Tutorials (for Operation of Program)Content Search Engine
Wikipedia Access
Periodic Table of the Elements

14 Built-In Lessons
Hyperlinks


PDF Files
N/ABy Keyword
No

Listed Misconceptions (for Molecular Labs)
Comments (for Molecular Labs)

Instructor's Ed. Only
N/A
N/A

Assessment Questions
Google Forms Worksheet Questions
Answer Key> 1,200
Instructor's Ed. Only
Instructor's Ed. Only

No
N/A
N/A

Add Model Snapshots to Answers
Annotation of Pages



N/A
N/A

Customization of Questions
Authoring Capability

Instructor's Ed. Only
Instructor's Ed. Only

N/A
N/A

Japanese Language Content
Spanish Language Content
German Language ContentNoNoNo