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

Gabirondo-Lopez J., Gabirondo-Lopez I., Tasci E. S., Madariaga G.

JOURNAL OF APPLIED CRYSTALLOGRAPHY, vol.57, pp.1640-1649, 2024 (SCI-Expanded) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 57
  • Publication Date: 2024
  • Doi Number: 10.1107/s1600576724007908
  • Journal Name: JOURNAL OF APPLIED CRYSTALLOGRAPHY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, Index Islamicus, INSPEC, Metadex, Civil Engineering Abstracts
  • Page Numbers: pp.1640-1649
  • Hacettepe University Affiliated: Yes

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 JSmol. 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.