Evaluating the solution from MrBUMP and BALBES.
Evaluating the solution from MrBUMP and BALBES.
复制标题
评估MRBUMP和BALBES的解决方案。
DOI：
10.1107/s0907444911007530
复制
发表时间：
2011-04
期刊：
影响因子：
--
通讯作者：
Vagin AA
中科院分区：
文献类型：
--
作者：
Keegan RM;Long F;Fazio VJ;Winn MD;Murshudov GN;Vagin AA
The automated pipelines for molecular replacement MrBUMP and BALBES are reviewed, with an emphasis on understanding their output. Conclusions are drawn from their performance in extensive trials. Molecular replacement is one of the key methods used to solve the problem of determining the phases of structure factors in protein structure solution from X-ray image diffraction data. Its success rate has been steadily improving with the development of improved software methods and the increasing number of structures available in the PDB for use as search models. Despite this, in cases where there is low sequence identity between the target-structure sequence and that of its set of possible homologues it can be a difficult and time-consuming chore to isolate and prepare the best search model for molecular replacement. MrBUMP and BALBES are two recent developments from CCP4 that have been designed to automate and speed up the process of determining and preparing the best search models and putting them through molecular replacement. Their intention is to provide the user with a broad set of results using many search models and to highlight the best of these for further processing. An overview of both programs is presented along with a description of how best to use them, citing case studies and the results of large-scale testing of the software.
