Liu Qun, Weaver Arthur J, Xiang Tao, Thiel Daniel J, Hao Quan
MacCHESS at Cornell High Energy Synchrotron Source, Cornell University, Ithaca, NY 14853-8001, USA.
Acta Crystallogr D Biol Crystallogr. 2003 Jun;59(Pt 6):1016-9. doi: 10.1107/s090744490300739x. Epub 2003 May 23.
A parallel-aware program MPI_FSEARCH has been implemented to perform molecular replacement using an exhaustive six-dimensional search. In particular, the program can be used to deal with diffraction data at very low resolution (d > 10 A) that would normally not be appropriate for other molecular-replacement programs such as AMoRe and CNS. Although an envelope constructed from a PDB (Protein Data Bank) file was tested in the present study, the program can be used to perform low-resolution molecular replacement with an envelope derived from various sources such as electron microscopy or small-angle solution X-ray scattering.
已实现一个支持并行的程序MPI_FSEARCH，用于通过详尽的六维搜索来进行分子置换。具体而言，该程序可用于处理分辨率极低（d > 10 Å）的衍射数据，而这些数据通常不适用于其他分子置换程序，如AMoRe和CNS。尽管本研究中测试了由蛋白质数据库（PDB）文件构建的包络，但该程序也可用于利用源自各种来源（如电子显微镜或小角溶液X射线散射）的包络来进行低分辨率分子置换。
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