Display crystal structures on ordinary computer hardware
drawxtl [filename]
drawxtl reads a basic description of the crystal structure, which includes unit-cell parameters, space group, atomic coordinates, thermal parameters or a Fourier map, and outputs a geometry object that contains polyhedra, planes, lone-pair cones, spheres or ellipsoids, bonds, iso-surface Fourier contours and the unit-cell boundary.
Four forms of graphics are produced:
an OpenGL window for immediate viewing
the Persistence of Vision Ray Tracer (POV-RAY) scene language for publication-quality drawings
the Virtual Reality Modeling Language (VRML) for dissemination across the Internet
Postscript rendering of the OpenGL window for those who want high-quality output but do not have POV-RAY installed
There are no command line options to use.
~/.drawxtlrc
Per user configuration file.
A short tutorial about this file and configuring drawxtl is available online at http://home.att.net/~larry.finger/drawxtl/configure.htm.
When opening a structures (.str) file, drawxtl needs write permissions in the directory the file is located in. Otherwise it will return an error ("Cannot open structures files.").
A FAQ and a manual are available online in PDF and HTML format at the DRAWxtl homepage at http://home.att.net/~larry.finger/drawxtl/.
Please cite DRAWxtl as follows:
Larry W. Finger, Martin Kroeker, and Brian H. Toby, DRAWxtl, an open-source computer program to produce crystal-structure drawings, J. Applied Crystallography V40, pp. 188-192, 2007.
An electronic reprint is available online at http://home.att.net/~larry.finger/drawxtl/DRAWxtl_JAC.pdf.
Larry Finger <[email protected]>
Author of the program and the former version called “crystal”.
Martin Kroeker <[email protected]>
Author of the original POV and VRML modifications.
Brian Toby <[email protected]>
Author of the Fourier-contour code.
Daniel Leidert <[email protected]>
Manpage author for the Debian system.
Copyright © 2007-2009 Daniel Leidert
This manual page was written for the Debian system (but may be used by others).
Permission is granted to copy, distribute and/or modify this document under the terms of the GNU General Public License, Version 2 or (at your option) any later version published by the Free Software Foundation.
On Debian systems, the complete text of the GNU General Public License can be found in /usr/share/common-licenses/GPL.