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High quality illustrative effects for molecular rendering
Hermosilla Casajús, Pedro; Guallar, Víctor; Vinacua Pla, Álvaro; Vázquez Alcocer, Pere Pau
Universitat Politècnica de Catalunya. Departament de Ciències de la Computació; Universitat Politècnica de Catalunya. ViRVIG - Grup de Recerca en Visualització, Realitat Virtual i Interacció Gràfica
All-atom simulations are crucial in biotechnology. In Pharmacology, for example, molecular knowledge of protein-drug interactions is essential in the understanding of certain pathologies and in the development of improved drugs. To achieve this detailed information, fast and enhanced molecular visualization is critical. Moreover, hardware and software developments quickly deliver extensive data, providing intermediate results that can be analyzed by scientists in order to interact with the simulation process and direct it to a more promising configuration. In this paper we present a GPU-friendly data structure for real-time illustrative visualization of all-atom simulations. Our system generates both ambient occlusion and halos using an occupancy pyramid that needs no precalculation and that is updated on the fly during simulation, allowing the real time rendering of simulation results at sustained high framerates.
This work has been supported by the Projects TIN2013-47137-C2-1-P and TIN2014-52211-C2-1-R of the Spanish Ministerio de Economía y Competitividad, and the project 2014-SGR 146 from the Catalan Government.
Peer Reviewed
Àrees temàtiques de la UPC::Informàtica::Aplicacions de la informàtica::Bioinformàtica
Àrees temàtiques de la UPC::Informàtica::Infografia
Information visualization
Molecular structure -- Data processing
Rendering (Computer graphics)
Molecular visualization
Ambient occlusion
Visualització de la informació
Estructura molecular -- Informàtica
Attribution-NonCommercial-NoDerivs 4.0 International License

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