XCrySDen is a crystalline and molecular structure visualisation program, which aims at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It can run on most UNIX platforms, without any special hardware requirements.

XCrySDen has been also ported to MAC OSX (requires X11) and Windows (requires CYGWIN).

The name of the program stands for Crystalline Structures and Densities and X because it runs under the X-Window environment.

XCrySDen mailing list

XCrySDen mailing list is an open mailing list where XCrySDen related issues can be discussed among users.

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News

`[Jun 17 2011]`	XCrySDen version 1.5.24 is made available.
`[Apr 07 2011]`	XCrySDen version 1.5.23 is made available.
`[Jun 16 2005]`	XCrySDen mailing list established.
`[May 14 2003]`	XCrySDen's WEB address is www.xcrysden.org

Terms of use

XCrySDen is released under the GNU General Public License.

Whenever graphics generated by XCrySDen are used in scientific publications, it shall be greatly appreciated to include an explicit reference. The preferred form is the following:

[ref] A. Kokalj, Comp. Mater. Sci., 2003, Vol. 28, p. 155. Code available from http://www.xcrysden.org/.

XCrySDen reference

XCrySDen has been described in the following papers:

A. Kokalj, Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale, Comp. Mat. Sci., 2003, 28, 155--168.
A. Kokalj, XCrySDen--a new program for displaying crystalline structures and electron densities, J. Mol. Graphics Modelling, 1999, 17, 176--179.
A. Kokalj and M. Causà, Scientific Visualization in Computational Quantum Chemistry, Proceedings of High Performance Graphics Systems and Applications European Workshop, Bologna, Italy, 2000, 51--54.