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Experiences with a new translation‐function program
Author(s) -
Fujinaga M.,
Read R. J.
Publication year - 1987
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/s0021889887086102
Subject(s) - translation (biology) , orientation (vector space) , rotation (mathematics) , position (finance) , function (biology) , set (abstract data type) , computer science , correlation coefficient , computer program , algorithm , feature (linguistics) , mathematics , artificial intelligence , chemistry , geometry , programming language , machine learning , biochemistry , linguistics , philosophy , finance , evolutionary biology , biology , messenger rna , economics , gene
The development of a new translation‐function program is reported. It is one that uses a linear correlation coefficient to determine the correct position of an oriented molecule in the crystal cell. The method has been implemented in a computer program called BRUTE . The program can also refine the orientation of the model and accept a set of atoms with fixed positions. Comparison of the correlation coefficient with other translation functions indicates that it is comparable to or slightly better than the rest. The most important feature of the program is its ability to adjust the orientation of the model. This allows for errors in the orientation obtained from the rotation function to be corrected.