MOLREP: an automated program for molecular replacement

被引:4289
作者
Vagin, A [1 ]
Teplyakov, A
机构
[1] Univ York, Dept Chem, York YO1 5DD, N Yorkshire, England
[2] DESY, EMBL, D-22603 Hamburg, Germany
来源
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 1997年 / 30卷
关键词
D O I
10.1107/S0021889897006766
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
MOLREP is an automated program for molecular replacement which utilizes effective new approaches in data processing and rotational and translational searching. These include an automatic choice of all parameters, scaling by Patterson origin peaks and soft resolution cutoff. One of the cornerstones of the program is an original full-symmetry translation function combined with a packing function. information from the model already placed in the cell is incorporated in both translation and packing functions. A number of tests using experimental data proved the ability of the program to find the correct solution in difficult cases.
引用
收藏
页码:1022 / 1025
页数:4
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