Yeti is a molecular mechanics program for modeling proteins and small-molecule protein complexes. It features a directional potential function for H-bonds and metal-ligand interactions and allows for H-bond network orientation as well as for protein solvation. The metal-center function has been calibrated for Zn(II), Co(II), Cu(II), Ca(II), Mg(II), Ni(II), Fe(II), and Fe(III). It allows for the simulation of tetrahedral, square-planar, square-pyramidal, trigonal-bipyramidal and octahedral coordination as well as for dynamic ligand-metal charge transfer.
Current version: 8.3
Authors: Max Dobler and Angelo Vedani
Computer platforms: Mac OS X, Linux, Windows