Roshandel Hootan, Shammami Matthew, Lin Shiyun, Wong Yin-Pok, Diaconescu Paula L
Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095, United States.
J Chem Educ. 2023 Apr 20;100(5):2039-2044. doi: 10.1021/acs.jchemed.2c01131. eCollection 2023 May 9.
The rise of virtual and online education in recent years has led to the development and popularization of many online tools, notably three-dimensional (3D) models and augmented reality (AR), for visualizing various structures in chemical sciences. The majority of the developed tools focus on either small molecules or biological systems, as information regarding their structure can be easily accessed from online databases or obtained through relatively quick calculations. As such, due to a lack of crystallographic and theoretical data available for nonbiological macromolecules, there is a noticeable lack of accessible online tools for the visualization of polymers in 3D. Herein, using a few sample polymers, we showcase a workflow for the generation of 3D models using molecular dynamics and Blender. The 3D structures can then be hosted on p3d.in, where AR models can be generated automatically. Furthermore, the hosted 3D models can then be shared via quick response (QR) codes and used in various settings without the need to download any applications.
近年来，虚拟和在线教育的兴起推动了许多在线工具的开发与普及，尤其是三维（3D）模型和增强现实（AR），用于可视化化学科学中的各种结构。大多数已开发的工具要么专注于小分子，要么专注于生物系统，因为有关它们结构的信息可以很容易地从在线数据库中获取，或者通过相对快速的计算获得。因此，由于缺乏可用于非生物大分子的晶体学和理论数据，明显缺乏用于3D可视化聚合物的可访问在线工具。在此，我们使用一些示例聚合物展示了一种使用分子动力学和Blender生成3D模型的工作流程。然后可以将3D结构托管在p3d.in上，在那里可以自动生成AR模型。此外，托管的3D模型随后可以通过二维码共享，并在各种环境中使用，而无需下载任何应用程序。
