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MAGICSQUASH: More versatile non-crystallographic averaging with multiple constraints

被引：19
作者：
Schuller, DJ
机构：
[1] Dept. of Molec. Biol. and Biochem., University of California, Irvine
来源：
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 1996年 / 52卷
关键词：
D O I：
10.1107/S0907444995013291
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
The simultaneous application of multiple constraints such as non-crystallographic symmetry averaging, solvent levelling, histogram matching and Sayre's equation has proven to be very effective for phase refinement and extension. An existing program for this purpose, SQUASH, has been altered to increase the flexibility of its non-crystallographic symmetry averaging. The modified program, MAGICSQUASH, can handle multiple-domain averaging and multiple space group averaging and has aided in the solution of several structures. Examples are described which include the first simultaneous application of solvent levelling, histogram matching and Sayre's equation in two crystal forms while averaging between them.
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页码：425 / 434
页数：10
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