Premium
VESTA 3 for three‐dimensional visualization of crystal, volumetric and morphology data
Author(s) -
Momma Koichi,
Izumi Fujio
Publication year - 2011
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889811038970
Subject(s) - undo , visualization , voronoi diagram , computer science , computer graphics (images) , rendering (computer graphics) , subdivision , interactive visualization , computational science , data visualization , crystallography , geometry , artificial intelligence , chemistry , mathematics , geography , archaeology , operating system
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.