Algorithms for finding the axis of a helix: Fast rotational and parametric least-squares methods

被引:66
作者
Christopher, NA [1 ]
Swanson, R [1 ]
Baldwin, TO [1 ]
机构
[1] TEXAS A&M UNIV, DEPT BIOCHEM & BIOPHYS, CTR MACROMOL DESIGN, COLLEGE STN, TX 77843 USA
来源
COMPUTERS & CHEMISTRY | 1996年 / 20卷 / 03期
关键词
D O I
10.1016/0097-8485(95)00075-5
中图分类号
O6 [化学];
学科分类号
0703 [化学];
摘要
Several methods for finding the axis of a helix are presented and compared. The most accurate determines the helix axis as the axis of rotation necessary to map point i to point i + 1 of the helix. The fastest method calculates the helix axis as the best-fit line through the coordinates by a three-dimensional parametric linear least-squares algorithm, taking advantage of the sequential nature of the data. (C) 1996 Elsevier Science Ltd.
引用
收藏
页码:339 / 345
页数:7
相关论文
共 7 条
[1]
[Anonymous], 1989, NUMERICAL RECIPES FO
[2]
A SIMPLE WAY TO CALCULATE THE AXIS OF AN ALPHA-HELIX [J].
AQVIST, J .
COMPUTERS & CHEMISTRY, 1986, 10 (02) :97-99
[3]
APLYSIA-LIMACINA MYOGLOBIN - CRYSTALLOGRAPHIC ANALYSIS AT 1.6-A RESOLUTION [J].
BOLOGNESI, M ;
ONESTI, S ;
GATTI, G ;
CODA, A ;
ASCENZI, P ;
BRUNORI, M .
JOURNAL OF MOLECULAR BIOLOGY, 1989, 205 (03) :529-544
[4]
DEFINING THE AXIS OF A HELIX [J].
KAHN, PC .
COMPUTERS & CHEMISTRY, 1989, 13 (03) :185-189
[5]
QUATERNION TRANSFORMATION OF MOLECULAR-ORIENTATION [J].
MACKAY, AL .
ACTA CRYSTALLOGRAPHICA SECTION A, 1984, 40 (MAR) :165-166
[6]
GENE DUPLICATIONS IN THE STRUCTURAL EVOLUTION OF CHYMOTRYPSIN [J].
MCLACHLAN, AD .
JOURNAL OF MOLECULAR BIOLOGY, 1979, 128 (01) :49-+
[7]
TITS A, 1993, J OPTIM THEORY APPL, V76, P455