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AUTOMR : an automatic processing program system for the molecular replacement method
Author(s) -
Matsuura Y.
Publication year - 1991
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/s002188989100554x
Subject(s) - molecular replacement , translation (biology) , rotation (mathematics) , function (biology) , computer science , computer program , molecule , algorithm , computational science , crystallography , crystal structure , physics , chemistry , artificial intelligence , programming language , biology , biochemistry , evolutionary biology , messenger rna , gene , quantum mechanics
An automatic processing program system of the molecular replacement method AUTOMR is presented. The program solves the initial model of the target crystal structure using a homologous molecule as the search model. It processes the structure‐factor calculation of the model molecule, the rotation function, the translation function and the rigid‐group refinement successively in one computer job. Test calculations were performed for six protein crystals and the structures were solved in all of these cases.