journal article Oct 29, 2011

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

View at Publisher Save 10.1107/s0021889811038970
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.
Topics

No keywords indexed for this article. Browse by subject →

References
31
[1]
Arnold, H. (2005). International Tables for Crystallography, Vol. A, 5th ed., edited by Th. Hahn, pp. 78-85. Heidelberg: Springer.
[2]
Announcing the worldwide Protein Data Bank

Helen Berman, Kim Henrick, Haruki Nakamura

Nature Structural & Molecular Biology 2003 10.1038/nsb1203-980
[3]
Busing, W. R., Martin, K. O. & Levy, H. A. (1964). A FORTRAN Crystallographic Function and Error Program. Report ORNL-TM-306, Oak Ridge National Laboratory, Tennessee, USA. 10.2172/4037571
[4]
Clark Z. Kristallogr. (2002) 10.1524/zkri.220.5.567.65075
[5]
Collins Nature (London) (1982) 10.1038/298049a0
[6]
Gelato J. Appl. Cryst. (1987) 10.1107/s0021889887086965
[7]
The crystallographic information file (CIF): a new standard archive file for crystallography

S. R. Hall, F. H. Allen, I. D. Brown

Acta Crystallographica Section A Foundations of Cr... 1991 10.1107/s010876739101067x
[8]
Hartman, P. (1973). Crystal Growth: An Introduction, pp. 398-401. Amsterdam: North-Holland Publishing Co.
[9]
Izumi Solid State Ionics (2004) 10.1016/j.ssi.2004.04.023
[10]
Izumi, F. & Dilanian, R. A. (2002). Recent Research Developments in Physics, Vol. 3, part II, pp. 699-726. Trivandrum: Transworld Research Network.
[11]
[12]
Izumi Solid State Phenom. (2007) 10.4028/www.scientific.net/ssp.130.15
[13]
Izumi Bull. Ceram. Soc. Jpn (2008)
[14]
Kanke Acta Cryst. C (1992) 10.1107/s0108270192000751
[15]
Kato, K. & Izumi, F. (2008). Unpublished work.
[16]
Kokalj Comput. Mater. Sci. (2003) 10.1016/s0927-0256(03)00104-6
[17]
Kresse Phys. Rev. B (1996) 10.1103/physrevb.54.11169
[18]
Larson, A. C. & Von Dreele, R. B. (2004). GSAS. Report LAUR 86-748. Los Alamos National Laboratory, New Mexico, USA.
[19]
Momma Nat. Commun. (2011) 10.1038/ncomms1196
[20]
[21]
Momma J. Appl. Cryst. (2008) 10.1107/s0021889808012016
[22]
Momma Jpn. Mag. Mineral. Petrol. Sci. (2010)
[23]
Momma Eur. J. Mineral. (2009) 10.1127/0935-1221/2009/0021-1893
[24]
Press, W. H., Flannery, B. P., Teukolsky, S. A. & Vetterling, W. T. (2007). Numerical Recipes: The Art of Scientific Computing, 3rd ed., pp. 1142-1146. New York: Cambridge University Press.
[25]
Sakata Acta Cryst. B (1992) 10.1107/s0108768192001770
[26]
Sears, V. F. (2004). International Tables for Crystallography, Vol. C, 3rd ed., edited by E. Prince, pp. 444-452. Dordrecht: Kluwer.
[27]
Segall J. Phys. Condens. Matter (2002) 10.1088/0953-8984/14/11/301
[28]
A short history ofSHELX

George M. Sheldrick

Acta Crystallographica Section A Foundations of Cr... 2008 10.1107/s0108767307043930
[29]
Smart, J., Hock, K. & Csomor, S. (2005). Cross-Platform GUI Programming with wxWidgets. Upper Saddle River: Prentice Hall.
[30]
Tsirelson Acta Cryst. B (2002) 10.1107/s0108768102005517
[31]
New analytical scattering-factor functions for free atoms and ions

D. Waasmaier, A. Kirfel

Acta Crystallographica Section A Foundations of Cr... 1995 10.1107/s0108767394013292
Cited By
23,637
Semiconductor physics, quantum elec...
Chemistry of Materials
Journal of Materials Chemistry A
Physical Review B
Metrics
23,637
Citations
31
References
Details
Published
Oct 29, 2011
Vol/Issue
44(6)
Pages
1272-1276
License
View
Cite This Article
Koichi Momma, Fujio Izumi (2011). VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. Journal of Applied Crystallography, 44(6), 1272-1276. https://doi.org/10.1107/s0021889811038970
Related

You May Also Like

OLEX2: a complete structure solution, refinement and analysis program

Oleg V. Dolomanov, Luc J. Bourhis · 2009

29,987 citations

PROCHECK: a program to check the stereochemical quality of protein structures

R. A. Laskowski, M. W. MacArthur · 1993

24,461 citations

Phasercrystallographic software

Airlie J. McCoy, Ralf W. Grosse-Kunstleve · 2007

20,669 citations