The Trident Computational Methods. Trident provides a targeted set of computational methods, addressing the needs of medicinal chemists. All methods are easily accessed via Trident's seamless graphical interface.
   
Methods:
     
  Molecular Mechanics Molecular mechanics is presently the only practical method for calculations on very large molecules or for conformational searching on molecules with a large number of degrees of freedom. MMFF94, in particular, has proven to be a reliable and fast tool for conformational analysis. There are no atom limits for molecular mechanics calculations.

Trident molecular mechanics calculations also include optional aqueous solvent energy corrections.
     
  Semi-Empirical
Molecular Orbital
Semi-empirical models are the simplest of the quantum chemical schemes, and are useful for equilibrium and transition-state structure calculations. PM3, in particular, has proven to be a reliable tool for geometry calculations on transition metal inorganic and organometallic compounds.

Trident includes PM3 methods with parameter extensions for heavy main-group elements for most transition metals.
     
  Hartree-Fock
Molecular Orbital
Hartree-Fock models are well documented standards for predicting structure, energy and property calculations, in particular for organic molecules.

Trident provides two versatile basis sets: 3-21G and 6-31G*.