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

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 <i>JSmol</i>. 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.

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Publication Details

Journal
Journal of Applied Crystallography
Published
2024-09-17
DOI
https://doi.org/10.1107/s1600576724007908
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
0.00

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article

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

G. Madariaga, Emre S. Tasci, Jon Gabirondo-López, I Gabirondo-López
Journal of Applied Crystallography
X-ray Diffraction in Crystallography
article

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

G. Madariaga, Emre S. Tasci, Jon Gabirondo-López, I Gabirondo-López
article en

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 <i>JSmol</i>. 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.

Journal of Applied CrystallographyVol. 57(5)
University of the Basque Country (ES), Hacettepe University (TR)
Eusko Jaurlaritza, Euskal Herriko Unibertsitatea
Openalex Percentile: Top 91%
X-ray Diffraction in Crystallography
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Towards dynamically configured databases for CIFs: the new modulated structures open database at the Bilbao Crystallographic Server — G. Madariaga, Emre S. Tasci, et al. · Journal of Applied Crystallography (2024) | TGRS Research Map | TGRS