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面向用于晶体结构信息文件(CIFs)的动态配置数据库:毕尔巴鄂晶体学服务器上的新调制结构开放数据库。

Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server.

作者信息

Gabirondo-López J, Gabirondo-López I, Tasci E S, Madariaga G

机构信息

Department of Physics University of the Basque Country UPV/EHU Apartado 644 48080Bilbao Spain.

Department of Physics Engineering, Hacettepe University, Ankara06800, Türkiye.

出版信息

J Appl Crystallogr. 2024 Sep 17;57(Pt 5):1640-1649. doi: 10.1107/S1600576724007908. eCollection 2024 Oct 1.

Abstract

This article presents a web-based framework to build a database without in-depth programming knowledge given a set of CIF dictionaries and a collection of CIFs. The framework consists of two main elements: the public site that displays the information contained in the CIFs in an ordered manner, and the restricted administrative site which defines how that information is stored, processed and, eventually, displayed. Thus, the web application allows users to easily explore, filter and access the data, download the original CIFs, and visualize the structures via . The modulated structures open database B-IncStrDB, the official International Union of Crystallography repository for this type of material and available through the Bilbao Crystallographic Server, has been re-implemented following the proposed framework.

摘要

本文介绍了一个基于网络的框架,在给定一组CIF字典和一系列CIF的情况下,无需深入的编程知识即可构建数据库。该框架由两个主要元素组成:以有序方式显示CIF中包含信息的公共网站,以及定义该信息如何存储、处理并最终显示的受限管理网站。因此,该网络应用程序允许用户轻松地探索、筛选和访问数据,下载原始CIF,并通过……可视化结构。调制结构开放数据库B-IncStrDB,这是国际晶体学联盟针对此类材料的官方存储库,可通过毕尔巴鄂晶体学服务器获取,已按照所提出的框架重新实现。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b0a2/11460402/2160f28f419b/j-57-01640-fig1.jpg

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