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在线工具,可轻松构建虚拟分子模型,以便在网络上的增强现实和虚拟现实中显示。

Online tools to easily build virtual molecular models for display in augmented and virtual reality on the web.

机构信息

Laboratory for Biomolecular Modeling, École Polytechnique Fédérale de Lausanne and Swiss Institute of Bioinformatics, 1015, Lausanne, Switzerland.

Laboratory for Biomolecular Modeling, École Polytechnique Fédérale de Lausanne and Swiss Institute of Bioinformatics, 1015, Lausanne, Switzerland.

出版信息

J Mol Graph Model. 2022 Jul;114:108164. doi: 10.1016/j.jmgm.2022.108164. Epub 2022 Mar 17.

DOI:10.1016/j.jmgm.2022.108164
PMID:35325844
Abstract

Several groups developed in the last years augmented and virtual reality (AR/VR) software to visualize 3D molecules, most rather static, limited in content, and requiring software installs, some even requiring expensive hardware. We launched in 2020 moleculARweb (https://molecularweb.epfl.ch), a website that offers interactive content for chemistry and structural biology education through commodity web-based AR that works on consumer devices like smartphones, tablets and laptops. Among thousands of users, teachers increasingly request more biological macromolecules to be available, a demand that we cannot address individually. Therefore, to allow users to build their own material, we built a web interface where they can create online AR experiences in few steps starting from Protein Data Bank, AlphaFold or custom uploaded structures, or from virtual objects/scenes exported from the Visual Molecular Dynamics program, without any programming knowledge. The web tool also returns WebXR sessions for viewing and manipulating the models in WebXR-compatible devices including smartphones, tablets, and also immersive VR headsets with WebXR-capable browsers, where models can be manipulated even with bare hands when supported by the device. The tool is accessible for free at https://molecularweb.epfl.ch/pages/pdb2ar.html.

摘要

过去几年,有几个团队开发了增强现实(AR)和虚拟现实(VR)软件,以可视化 3D 分子,这些软件大多是静态的,内容有限,需要安装软件,有些甚至需要昂贵的硬件。我们在 2020 年推出了 moleculARweb(https://molecularweb.epfl.ch),这是一个网站,通过基于网络的、适用于智能手机、平板电脑和笔记本电脑等消费类设备的 AR 技术,提供化学和结构生物学教育的互动内容。在成千上万的用户中,教师越来越多地要求提供更多的生物大分子,我们无法逐个满足这一需求。因此,为了允许用户构建自己的材料,我们构建了一个网络界面,用户可以在该界面中使用 AlphaFold 或自定义上传的结构,或者从 Visual Molecular Dynamics 程序导出的虚拟对象/场景,在几步之内创建在线 AR 体验,无需任何编程知识。该网络工具还为在支持 WebXR 的设备中查看和操作模型提供 WebXR 会话,包括支持 WebXR 的智能手机、平板电脑,甚至沉浸式 VR 头显,在设备支持的情况下,甚至可以用裸手操作模型。该工具可在 https://molecularweb.epfl.ch/pages/pdb2ar.html 免费访问。

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