VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data

• Published in: Journal of applied crystallography Vol. 44; no. 6; pp. 1272 - 1276
• Main Authors: Momma, Koichi, Izumi, Fujio
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.12.2011
• Subjects: computer programs; data visualization; electronic state calculations; VESTA 3; Voronoi tessellation
• ISSN: 1600-5767; 0021-8898; 1600-5767
• DOI: 10.1107/S0021889811038970

VESTA is a three‐dimensional visualization system for crystallographic studies and electronic state calculations. It has been upgraded to the latest version, VESTA 3, implementing new features including drawing the external morphology of crystals; superimposing multiple structural models, volumetric data and crystal faces; calculation of electron and nuclear densities from structure parameters; calculation of Patterson functions from structure parameters or volumetric data; integration of electron and nuclear densities by Voronoi tessellation; visualization of isosurfaces with multiple levels; determination of the best plane for selected atoms; an extended bond‐search algorithm to enable more sophisticated searches in complex molecules and cage‐like structures; undo and redo in graphical user interface operations; and significant performance improvements in rendering isosurfaces and calculating slices.