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. 2019 Oct 5;40(26):2329-2338.
doi: 10.1002/jcc.25858. Epub 2019 May 11.

CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids

Giorgia Beata  1   2 , Gianpaolo Perego  2 , Bartolomeo Civalleri  1
Affiliations

CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids

Giorgia Beata et al. J Comput Chem. .

Abstract

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.

Keywords: CRYSTAL; GUI; periodic systems; solid state.

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References

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