Tasks Performed by Trident for Windows:
   
  Structure/Property Trident utilizes quantum mechanics to determine total energy (Hartree-Fock) or heat of formation (PM3) for either initial geometry or optimized geometry. A number of useful values follow from determining the wavefunction including energy, aqueous energy, energy of HOMO and LUMO, atomic charges and dipole moments. Additional properties are determined by Trident's property module including molecular weight, area, volume, polar surface area, LogP, electronegativity, hardness, and ovality.
     
  Molecular Shape Provides access to Trident's molecular mechanics engines for conformational searching, determining the "Best Conformer", "Good Conformers", using either systematic or Monte-Carlo approaches in either gas-phase of aqueous environments. Additionally Trident generates "Conformer Libraries" invoking a procedure for determining the minimum set of conformers required to span conformational space, of significant utility in similarity analysis. Trident also provides geometry optimization with molecular mechanics providing strain energy.
     
  Similarity Analysis Trident quantifies molecular similarity based on atoms, chemical functional descriptors, or pharmacophores.