Abstract
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.
Keywords
UndoVisualizationVoronoi diagramComputer scienceComputer graphics (images)Rendering (computer graphics)SubdivisionInteractive visualizationComputational scienceData visualizationCrystallographyGeometryArtificial intelligenceChemistryMathematicsGeography
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Publication Info
- Year
- 2011
- Type
- article
- Volume
- 44
- Issue
- 6
- Pages
- 1272-1276
- Citations
- 23055
- Access
- Closed
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Cite This
Koichi Momma,
Fujio Izumi
(2011).
<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data.
Journal of Applied Crystallography
, 44
(6)
, 1272-1276.
https://doi.org/10.1107/s0021889811038970
Identifiers
- DOI
- 10.1107/s0021889811038970