crystalline and molecular structure visualisation program
aiming at display of isosurfaces and contours, which can be
superimposed on crystalline structures and interactively rotated
and manipulated. It runs on GNU/Linux.
XCrySDen has been
also ported to MAC OSX (requires X11) and Windows (requires
The name of the program stands for Crystalline Structures and Densities
and X because it runs
under the X-Window environment.
Read more... | See screenshots ...
Latest version: 1.5.60
mailing list is an open
mailing list where XCrySDen related issues can be discussed among
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/.
described in the following papers:
- A. Kokalj, Computer graphics and graphical user interfaces as
tools in simulations of matter at the atomic scale,
Comp. Mater. Sci., 2003, 28,
- A. Kokalj, XCrySDen--a new program for displaying crystalline
structures and electron densities,
J. Mol. Graphics Modelling, 1999, 17,
- 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.