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M. Chavent, A. Tek, Z. Lu, M. Baaden (Laboratoire de Biochimie Thorique)
In a recent review (Chavent et al: GPU-powered tools boost molecular visualization, Brief Bioinform 2011, doi:10.1093/bib/bbq089) we have taken a look at the latest contributions from the computer science field with the potential to revamp molecular visualization. The majority of these developments take advantage of new GPU programmability to revive well known molecular metaphors. Using such GPU capabilities, we have designed a new molecular representation called HyperBalls, where cylinders are replaced by hyperboloids that smoothly connect atom spheres. This is particularly useful to depict dynamic bond evolution. This method is implemented as a prototype demonstrator using the Unity3D game engine. The main advantage of this engine is the easiness to create appealing 3D environments with graphical user interfaces. Unity 3D allowed us to quickly develop an interactive tool to manipulate molecular structures and test the HyperBalls representation. We strive to release a freely available version of this molecular viewer soon.