group elements through the fourth row (except the noble gases) as well as Zinc and Cadmium, have been parametrized. Molecular Mechanics using the Sybyl 5.2 and UFF Force Fields. QM/MM using the ONIOM method. Molecular dynamics using the simple Verlet algorithm. Pople-style input for quick input generation and compatibility with other programs. Graphical input generation and display All major ab initio functionality is fully parallel (except MP2 gradients which is serial only - parallel version under development). Calculate molecular structure and vibrational spectra for transition state, infrared (IR), Raman and Vibrational circular dichroism (VCD). See also References External links Computational chemistry software Chemistry software for Linux Science software that uses Qt Proprietary commercial software for Linux Proprietary software that uses Qt