carta
DRAWxtl54(1)

DRAWxtl541

Display crystal structures on ordinary computer hardware

Part of drawxtl(1).

Usage

drawxtl [filename]

Overview

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.

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.

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.").

Authors

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.

From drawxtl 5.4+dfsg-5 in Debian 6.0 (Squeeze). Parsed by carta from the page's man source.