Online carbohydrate 3D structure validation with the Privateer web app.

Online carbohydrate 3D structure validation with the Privateer web app.
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DOI:
10.1107/s2053230x24000359
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发表时间:
2024-02-01
期刊:
Acta crystallographica. Section F, Structural biology communications
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其他
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Privateer 碳水化合物 3D 结构验证软件现已作为网络应用程序免费提供。这里描述了它的用途,包括一个实际示例。由于与碳水化合物相关的困难,在沉积到蛋白质数据库之前验证聚糖 3D 结构已成为结构解决方案流程的主要内容。 Privateer 软件提供了用于验证、分析、细化和图形表示聚糖(作为配体和蛋白质修饰剂)3D 原子结构的综合方法。虽然 Privateer 是免费软件,但它要求用户安装任何支持它的结构生物学软件套件或从源代码构建它。这里展示了 Privateer Web 应用程序,该应用程序始终是最新的,并且无需安装即可在线使用 (https://privateer.york.ac.uk)。这种在用户机器上本地运行的自我更新工具将使结构生物学家能够通过网络浏览器简单快速地分析碳水化合物配体和蛋白质糖基化,同时保留其设备上的所有机密信息。
The Privateer carbohydrate 3D structure-validation software is now freely available as a web app. Here, its use is described, including a practical example. Owing to the difficulties associated with working with carbohydrates, validating glycan 3D structures prior to deposition into the Protein Data Bank has become a staple of the structure-solution pipeline. The Privateer software provides integrative methods for the validation, analysis, refinement and graphical representation of 3D atomic structures of glycans, both as ligands and as protein modifiers. While Privateer is free software, it requires users to install any of the structural biology software suites that support it or to build it from source code. Here, the Privateer web app is presented, which is always up to date and available to be used online (https://privateer.york.ac.uk) without installation. This self-updating tool, which runs locally on the user’s machine, will allow structural biologists to simply and quickly analyse carbohydrate ligands and protein glycosylation from a web browser whilst retaining all confidential information on their devices.
DOI: 10.3762/bjoc.16.204
发表时间: 2020
影响因子: 2.7
作者:
Bagdonas H;Ungar D;Agirre J
通讯作者: Agirre J