DRAWxtl, an open-source computer program to produce crystal structure drawings

被引:115
作者
Finger, Larry W.
Kroeker, Martin
Toby, Brian H.
机构
[1] Univ Freiburg, Inst Anorgan & Analyt Chem, D-7800 Freiburg, Germany
[2] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA
关键词
D O I
10.1107/S0021889806051557
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The computer program DRAWxtl produces crystal structure drawings in the form of an interactive screen representation, as well as VRML files for use on web pages and in classroom teaching, and creates input files for the popular Persistence of Vision Raytracer (POV-Ray) rendering program for publication-quality graphics, including generation of stereo pairs. DRAWxtl output produces the standard kinds of graphical representations: spheres, ellipsoids, bonds and polyhedra of any complexity. In addition, it can draw arrows to represent magnetic moments, show capped cones to indicate the location of lone-pair electrons and display Fourier contours in three dimensions. A unique feature of this program is the ability to plot incommensurately modulated and composite structures. This open-source program can be used with operating systems as diverse as Windows (9X, NT, 2000 and XP), Mac OS X, Linux and most other varieties of Unix.
引用
收藏
页码:188 / 192
页数:5
相关论文
共 25 条
[1]  
[Anonymous], 2001, FULLPROF
[2]   The crystal structure of painite CaZrB[Al9O18] revisited [J].
Armbruster, T ;
Döbelin, N ;
Peretti, A ;
Günther, D ;
Reusser, E ;
Grobéty, B .
AMERICAN MINERALOGIST, 2004, 89 (04) :610-613
[3]  
BLAHA P, 1996, WIEN2K
[4]   Alkaline metal oxoantimonates(III), A3[SbO3] (A = K or Cs) [J].
Emmerling, F ;
Röhr, C .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2001, 57 :1127-1128
[5]   First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals [J].
Evain, Michel ;
Petricek, Vaclav ;
Moelo, Yves ;
Maurel, Colette .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2006, 62 :775-789
[6]  
JOHNSON C, 1964, 5138 ORNL
[7]  
KELLER E, 1997, SCHAKAL
[8]  
KRESSE G, 1999, VASP
[9]  
LARSON AC, 2004, 867248 LAUR LOS AL N
[10]  
Lorensen WE., 1987, COMPUT GRAPH, V21, P163