Laboratoire de Biochimie Théorique, CNRS, Université de Paris, UPR 9080, 13 rue Pierre et Marie Curie, F-75005, Paris, France.
Institut de Biologie Physico-Chimique-Fondation Edmond de Rotschild, PSL Research University, Paris, France.
Biochem Soc Trans. 2020 Apr 29;48(2):499-506. doi: 10.1042/BST20190621.
Molecular visualization is fundamental in the current scientific literature, textbooks and dissemination materials. It provides an essential support for presenting results, reasoning on and formulating hypotheses related to molecular structure. Tools for visual exploration of structural data have become easily accessible on a broad variety of platforms thanks to advanced software tools that render a great service to the scientific community. These tools are often developed across disciplines bridging computer science, biology and chemistry. This mini-review was written as a short and compact overview for scientists who need to visualize protein structures and want to make an informed decision which tool they should use. Here, we first describe a few 'Swiss Army knives' geared towards protein visualization for everyday use with an existing large user base, then focus on more specialized tools for peculiar needs that are not yet as broadly known. Our selection is by no means exhaustive, but reflects a diverse snapshot of scenarios that we consider informative for the reader. We end with an account of future trends and perspectives.
分子可视化在当前的科学文献、教材和传播材料中是基础。它为呈现与分子结构相关的结果、推理和形成假说提供了重要支持。由于先进的软件工具,用于结构数据可视化探索的工具在各种平台上变得易于访问,这些工具通常是在计算机科学、生物学和化学等多个学科之间开发的,为科学界提供了很好的服务。
本文是为需要可视化蛋白质结构并希望做出明智决策的科学家编写的简短而紧凑的概述。在这里,我们首先描述了一些针对日常使用的“瑞士军刀”工具,它们适用于蛋白质可视化,拥有庞大的现有用户群,然后重点介绍了针对特定需求的更专业工具,这些工具尚未被广泛了解。我们的选择并不是详尽无遗的,但反映了我们认为对读者有启发性的各种场景的一个多样化快照。最后,我们介绍了未来的趋势和展望。