DRAWxtl54

Langue: en

Version: 336923 (ubuntu - 24/10/10)

Section: 1 (Commandes utilisateur)

Sommaire

NAME

drawxtl - display crystal structures on ordinary computer hardware

SYNOPSIS

drawxtl [filename]

DESCRIPTION

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

OPTIONS

There are no command line options to use.

FILES

~/.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.

BUGS

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.").

SEE ALSO

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/.

CITATION

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.

AUTHORS

Larry Finger <larry.finger@lwfinger.net>
Author of the program and the former version called "crystal".
Martin Kroeker <martin@ruby.chemie.uni-freiburg.de>
Author of the original POV and VRML modifications.
Brian Toby <brian.toby@anl.gov>
Author of the Fourier-contour code.
Daniel Leidert <daniel.leidert@wgdd.de>
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.