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  • The Inria's Research Teams produce an annual Activity Report presenting their activities and their results of the year. These reports include the team members, the scientific program, the software developed by the team and the new results of the year. The report also describes the grants, contracts and the activities of dissemination and teaching. Finally, the report gives the list of publications of the year.

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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.