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

© J. Gabirondo-López et al. 2024.

Bibliographische Detailangaben
Veröffentlicht in:Journal of applied crystallography. - 1998. - 57(2024), Pt 5 vom: 01. Okt., Seite 1640-1649
1. Verfasser: Gabirondo-López, J (VerfasserIn)
Weitere Verfasser: Gabirondo-López, I, Tasci, E S, Madariaga, G
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2024
Zugriff auf das übergeordnete Werk:Journal of applied crystallography
Schlagworte:Journal Article Bilbao Crystallographic Server CIF validation Modulated Structures Open Database Python web development
LEADER 01000caa a22002652 4500
001 NLM378735969
003 DE-627
005 20241011232829.0
007 cr uuu---uuuuu
008 241010s2024 xx |||||o 00| ||eng c
024 7 |a 10.1107/S1600576724007908  |2 doi 
028 5 2 |a pubmed24n1564.xml 
035 |a (DE-627)NLM378735969 
035 |a (NLM)39387067 
040 |a DE-627  |b ger  |c DE-627  |e rakwb 
041 |a eng 
100 1 |a Gabirondo-López, J  |e verfasserin  |4 aut 
245 1 0 |a Towards dynamically configured databases for CIFs  |b the new modulated structures open database at the Bilbao Crystallographic Server 
264 1 |c 2024 
336 |a Text  |b txt  |2 rdacontent 
337 |a ƒaComputermedien  |b c  |2 rdamedia 
338 |a ƒa Online-Ressource  |b cr  |2 rdacarrier 
500 |a Date Revised 11.10.2024 
500 |a published: Electronic-eCollection 
500 |a Citation Status PubMed-not-MEDLINE 
520 |a © J. Gabirondo-López et al. 2024. 
520 |a 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 
650 4 |a Journal Article 
650 4 |a Bilbao Crystallographic Server 
650 4 |a CIF validation 
650 4 |a Modulated Structures Open Database 
650 4 |a Python web development 
700 1 |a Gabirondo-López, I  |e verfasserin  |4 aut 
700 1 |a Tasci, E S  |e verfasserin  |4 aut 
700 1 |a Madariaga, G  |e verfasserin  |4 aut 
773 0 8 |i Enthalten in  |t Journal of applied crystallography  |d 1998  |g 57(2024), Pt 5 vom: 01. Okt., Seite 1640-1649  |w (DE-627)NLM098121561  |x 0021-8898  |7 nnns 
773 1 8 |g volume:57  |g year:2024  |g number:Pt 5  |g day:01  |g month:10  |g pages:1640-1649 
856 4 0 |u http://dx.doi.org/10.1107/S1600576724007908  |3 Volltext 
912 |a GBV_USEFLAG_A 
912 |a SYSFLAG_A 
912 |a GBV_NLM 
912 |a GBV_ILN_350 
951 |a AR 
952 |d 57  |j 2024  |e Pt 5  |b 01  |c 10  |h 1640-1649