Zheng Min, Waller Mark P
Department of Physics and International Center for Quantum and Molecular Structures, Shanghai University, Shangda Road 99, 200444 Shanghai, China; Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstraße 40, 48149 Münster, Germany.
Department of Physics and International Center for Quantum and Molecular Structures, Shanghai University, Shangda Road 99, 200444 Shanghai, China.
J Mol Graph Model. 2017 May;73:18-23. doi: 10.1016/j.jmgm.2017.01.019. Epub 2017 Jan 31.
Human computer interfaces make computational science more comprehensible and impactful. Complex 3D structures such as proteins or DNA are magnified by digital representations and displayed on two-dimensional monitors. Augmented reality has recently opened another door to access the virtual three-dimensional world. Herein, we present an augmented reality application called ChemPreview with the potential to manipulate bio-molecular structures at an atomistic level. ChemPreview is available at https://github.com/wallerlab/chem-preview/releases, and is built on top of the Meta 1 platform https://www.metavision.com/. ChemPreview can be used to interact with a protein in an intuitive way using natural hand gestures, thereby making it appealing to computational chemists or structural biologists. The ability to manipulate atoms in real world could eventually provide new and more efficient ways of extracting structural knowledge, or designing new molecules in silico.
人机界面使计算科学更易于理解且更具影响力。诸如蛋白质或DNA等复杂的三维结构通过数字表示得以放大，并显示在二维显示器上。增强现实最近为进入虚拟三维世界打开了另一扇门。在此，我们展示了一个名为ChemPreview的增强现实应用程序，它有潜力在原子水平上操纵生物分子结构。ChemPreview可在https://github.com/wallerlab/chem-preview/releases获取，并且基于Meta 1平台https://www.metavision.com/构建。ChemPreview可用于通过自然手势以直观的方式与蛋白质进行交互，从而使其对计算化学家或结构生物学家具有吸引力。在现实世界中操纵原子的能力最终可能会提供提取结构知识或在计算机上设计新分子的更新颖、更高效的方法。
