Section: New Software and Platforms

Hex

Keywords: 3D rendering - Bioinformatics - 3D interaction - Structural Biology

Scientific Description: Hex is an interactive protein docking and molecular superposition program for Linux Mac-OS and Windows-XP. Hex understands protein and DNA structures in PDB format, and it can also read small-molecule SDF files. The recent versions now include CUDA support for Nvidia GPUs. On a modern workstation, docking times range from a few minutes or less when the search is constrained to known binding sites, to about half an hour for a blind global search (or just a few seconds with CUDA).

Functional Description: The underlying algorithm uses a novel polar Fourier correlation technique to accelerate the search for close-fitting orientations of the two molecules.

• Participant: David Ritchie

• Contact: David Ritchie

• URL: http://hex.loria.fr