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Protein model building by the use of a constrained–restrained least‐squares procedure
Author(s) -
Herzberg O.,
Sussman J. L.
Publication year - 1983
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889883010134
Subject(s) - set (abstract data type) , lysozyme , series (stratigraphy) , least squares function approximation , macromolecule , model building , chemistry , computer science , crystallography , mathematics , algorithm , biological system , physics , biology , biochemistry , programming language , statistics , paleontology , quantum mechanics , estimator
The use of a macromolecular model building program, CORELS , which fits a series of constrained groups to a set of approximate guide coordinates, while simultaneously restraining the stereochemistry between groups, is described for protein molecules. The results of an application of this program to hen egg white lysozyme are discussed.