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首页> 外文期刊>Acta crystallographica.Section D. Biological crystallography >ARCIMBOLDO_LITE: single-workstation implementation and use
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ARCIMBOLDO_LITE: single-workstation implementation and use

机译：ARCIMBOLDO_LITE: single-workstation实现和使用

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ARCIMBOLDO solves the phase problem at resolutions of around 2 angstrom or better through massive combination of small fragments and density modification. For complex structures, this imposes a need for a powerful grid where calculations can be distributed, but for structures with up to 200 amino acids in the asymmetric unit a single workstation may suffice. The use and performance of the single-workstation implementation, ARCIMBOLDO_LITE, on a pool of test structures with 40-120 amino acids and resolutions between 0.54 and 2.2 angstrom is described. Inbuilt polyalanine helices and iron cofactors are used as search fragments. ARCIMBOLDO_BORGES can also run on a single workstation to solve structures in this test set using precomputed libraries of local folds. The results of this study have been incorporated into an automated, resolution-and hardware-dependent parameterization. ARCIMBOLDO has been thoroughly rewritten and three binaries are now available: ARCIMBOLDO_LITE, ARCIMBOLDO_SHREDDER and ARCIMBOLDO_BORGES. The programs and libraries can be downloaded from http://chango.ibmb.csic.es/ARCIMBOLDO_LITE.
机译：ARCIMBOLDO解决阶段问题的决议通过大规模约2埃或更好小片段和密度修改。将需要一个强大的网格可以分布式计算,但对于200个氨基酸的结构不对称单元一个工作站可能就足够了。single-workstation的使用和性能实现、ARCIMBOLDO_LITE池测试结构和40 - 120个氨基酸分辨率在0.54和2.2之间埃描述。代数余子式作为搜索碎片。ARCIMBOLDO_BORGES还可以在单个运行工作站解决结构在这个测试集使用预先计算的库的地方折叠。本研究的结果被纳入一个自动化的,分辨率和硬件相关的参数化。现在可以使用重写和三个二进制文件:ARCIMBOLDO_BORGES。从下载http://chango.ibmb.csic.es/ARCIMBOLDO_LITE。

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