CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids.
CRYSTAL
GUI
periodic systems
solid state
Journal
Journal of computational chemistry
ISSN: 1096-987X
Titre abrégé: J Comput Chem
Pays: United States
ID NLM: 9878362
Informations de publication
Date de publication:
05 Oct 2019
05 Oct 2019
Historique:
received:
06
03
2019
revised:
18
04
2019
accepted:
24
04
2019
pubmed:
12
5
2019
medline:
12
5
2019
entrez:
12
5
2019
Statut:
ppublish
Résumé
CRYSPLOT is a web-oriented tool (http://crysplot.crystalsolutions.eu) to visualize computed properties of periodic systems, in particular, as computed with the CRYSTAL code. Along with plotting, CRYSPLOT also permits the modification and customization of plots to meet the standards required for scientific graphics. CRYSPLOT has been designed with advanced and freely available graphical Javascript libraries as Plotly. The programming language used is Javascript. The code parses the input files, reads the data, and organizes them into objects ready to be plotted with the plotly.js library. It is modular and flexible so that it is very simple to add other input data formats. The new graphical tool is presented in details along with selected applications on metal-organic frameworks to show some of its capabilities. © 2019 Wiley Periodicals, Inc.
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
2329-2338Subventions
Organisme : Regione Piemonte
ID : Avviso Pubblico approvato con D.D. 537 del 03/08/2
Informations de copyright
© 2019 Wiley Periodicals, Inc.
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