回转仪和万向节：用于帕特森相关精修的最大似然替代方法。
Gyre and gimble: a maximum-likelihood replacement for Patterson correlation refinement.
机构信息
Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Hills Road, Cambridge CB2 0XY, England.
Crystallographic Methods, Institute of Molecular Biology of Barcelona (IBMB-CSIC), Barcelona Science Park, Helix Building, Baldiri Reixac 15, 08028 Barcelona, Spain.
出版信息
Acta Crystallogr D Struct Biol. 2018 Apr 1;74(Pt 4):279-289. doi: 10.1107/S2059798318001353. Epub 2018 Apr 3.
Descriptions are given of the maximum-likelihood gyre method implemented in Phaser for optimizing the orientation and relative position of rigid-body fragments of a model after the orientation of the model has been identified, but before the model has been positioned in the unit cell, and also the related gimble method for the refinement of rigid-body fragments of the model after positioning. Gyre refinement helps to lower the root-mean-square atomic displacements between model and target molecular-replacement solutions for the test case of antibody Fab(26-10) and improves structure solution with ARCIMBOLDO_SHREDDER.
描述了在 Phaser 中实现的最大似然回转法，该方法用于在模型的方向被确定后但在模型被定位在晶胞之前优化模型的刚体片段的方向和相对位置，以及相关的万向节方法用于在定位后 refinement 刚体片段。回转 refinement 有助于降低抗体 Fab(26-10)测试案例中模型和目标分子置换解决方案之间的均方根原子位移，并通过 ARCIMBOLDO_SHREDDER 改善结构解决方案。
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