Molecular Rift: Virtual Reality for Drug Designers

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• 作者：Magnus Norrby ; Christoph Grebner ; Joakim Eriksson ; Jonas Bostr枚m
• 刊名：Journal of Chemical Information and Modeling
• 出版年：2015
• 出版时间：November 23, 2015
• 年：2015
• 卷：55
• 期：11
• 页码：2475-2484
• 全文大小：577K
• ISSN：1549-960X

文摘

Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world鈥攁 virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand鈥損rotein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to powerful cheminformatics functions. Molecular Rift was developed with a focus on usability, including iterative test-group evaluations. We conclude with reflections on virtual reality鈥檚 future capabilities in chemistry and education. Molecular Rift is open source and can be downloaded from GitHub.