Molfit Version 2 enables efficient geometric and geometric-electrostatic protein-protein docking. It requires the coordinates of the two proteins (a and b) in PDB format and corresponding potential files, and produces output coordinates for b, also in PDB format. In the future we plan to upload newer versions of MolFit, which will allow for hydrophobic complementarity, and weighing of the surfaces.
Currently, MolFit is compiled on a Silicon Graphics workstation (IRIX 6.5) and on a PC, under Linux. We provide a compiled program, input instructions and examples of input and output files.
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