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A fast, direct algorithm for the least-squares fitting of two sets of atomic coordinates of macromolecular structures

✍ Scribed by Zong Jie Liu; Roland Van Rapenbusch


Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
337 KB
Volume
9
Category
Article
ISSN
0192-8651

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✦ Synopsis


By use of rotation angle method a direct algorithm is derived, which determines the least-squares superposition that matches two sets of atomic coordinates. The program based on this algorithm runs fast. The solution obtained by this algorithm cannot be trapped by any local minimum. Testing examples are also presented. *Permanent address: The Forestry University of ' To whom reprint and program requests should be Nanjing, Nanjing, China. sent.