XCrysDen

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Description

XCrySDen is a 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.

License

GNU/GPL v2, see http://www.gnu.org/licenses/gpl-2.0.html for details.

Usage

Upcoming modulesystem change alert!

Due to large number of applications and their versions it is not practical to keep them explicitly listed at our wiki pages. Therefore an upgrade of modulefiles is underway. A feature of this upgrade will be the existence of default module for every application. This default choice does not need version number and it will load some (usually latest) version.

You can test the new version now by adding a line

source /cvmfs/software.metacentrum.cz/modulefiles/5.1.0/loadmodules

to your script before loading a module. Then, you can list all versions of xcrysden and load default version of xcrysden as

module avail xcrysden/ # list available modules
module load xcrysden   # load (default) module


If you wish to keep up to the current system, it is still possible. Simply list all modules by

module avail xcrysden

and choose explicit version you want to use. After initialization is available a program run script xcrysden. Just type

xcrysden

or

xcrysden --help 

Notice: This application use or needs GUI – graphical interface. To use the application in graphical mode see Remote desktop or X-Window.

Documentation

http://www.xcrysden.org/Documentation.html

Homepage

http://www.xcrysden.org