PEANUT - COMPUTER-GRAPHICS PROGRAM TO REPRESENT ATOMIC DISPLACEMENT PARAMETERS

被引:103
作者
HUMMEL, W [1 ]
HAUSER, J [1 ]
BURGI, HB [1 ]
机构
[1] UNIV BERN,CHEM & MINERAL CRYSTALLO,CH-3000 BERN,SWITZERLAND
来源
JOURNAL OF MOLECULAR GRAPHICS | 1990年 / 8卷 / 04期
关键词
atomic displacement parameters; interactive computer graphics;
D O I
10.1016/0263-7855(90)80006-2
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
PEANUT is an easy to use computer graphics program for the visualization and real-time manipulation of the atomic displacement parameters of small molecules. A flexible, dynamic data structure allows the user to compute complicated, nonspherical atomic surfaces and to handle the point group symmetry of the molecules automatically. Pictures with hidden-line removal may be plotted in publication quality on appropriate output devices. © 1990.
引用
收藏
页码:214 / 220
页数:7
相关论文
共 16 条
[1]  
BRICKMANN J, 1988, MOLCAD IRIS4DXX MANU
[2]   THE STANDARD CRYSTALLOGRAPHIC FILE STRUCTURE [J].
BROWN, ID .
ACTA CRYSTALLOGRAPHICA SECTION A, 1983, 39 (MAR) :216-224
[3]   INTERPRETATION OF ATOMIC DISPLACEMENT PARAMETERS FROM DIFFRACTION STUDIES OF CRYSTALS [J].
DUNITZ, JD ;
SCHOMAKER, V ;
TRUEBLOOD, KN .
JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (04) :856-867
[4]  
Foley JD, 1984, FUNDAMENTALS INTERAC
[5]  
HUMMEL W, 1990, IN PRESS ACTA CRYS B, V46
[6]  
JOHNSON CK, 1976, ORNL5138 REP
[7]  
Kernighan B. W., 1978, C PROGRAMMING LANGUA, V1st
[9]  
Rogers D., 1985, PROCEDURAL ELEMENTS
[10]  
SANDS DE, 1982, VECTORS TENSORS CRYS, P72