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Spartan 10

Logiciel de modélisation moléculaire pour l'enseignement et la formation

Par WaveFunction

WindowsMac

 Logiciels scientifiques > Enseignement/Formation          PAGE EN COURS DE TRADUCTION

Spartan’10 (“Spartan”) has been designed to address the ever increasing role that calculations play in chemistry and related fields. It represents a continued collaboration between Wavefunction, Inc., and Q-Chem, Inc. Q-Chem codes supplement and extend the traditional strengths of Spartan as an easy to learn and use tool for molecular mechanics, semi-empirical and Hartree-Fock molecular orbital calculations, as well as a wide variety of graphical models, with a full range of density functional models and a selection of wavefunction based important postHartree-Fock models. All models have been implemented using what we believe are the most robust algorithms currently available, and have been tuned for high performance on Intel and AMD processors including multi-core processors. 

Spartan is intended to be utilized by chemists, not only computational chemists who are already familiar with the capabilities of molecular mechanics and quantum chemical methods, but also experimental chemists who may have little or no prior experience, but who want to use calculations much in the same way as experimental techniques such as NMR spectroscopy. This ambitious goal is directly reflected in the program’s overall design criteria: “convenient access to a full range of modern molecular mechanics and quantum chemical models”, and clearly distinguishes Spartan from other molecular modeling packages. 
Spartan is supported under Windows (XP, XP 64, Vista and 7, both 32 and 64-bit), Macintosh (OS 10.5 and 10.6), Linux (Linux Kernel 2.6 or later). The Linux version (only) may be used in a server mode with Windows, Macintosh or Linux acting as a front end, and can also perform calculations locally.

 

Minimum system requirements Graphical User Interface
Task performed Computational Methods
Properties Calculated Database Access
Additional Features Maintenance
User's Guide (15 MB pdf)