Completion of autobuilt protein models using a database of protein fragments.
Completion of autobuilt protein models using a database of protein fragments.
复制标题
DOI：
10.1107/s0907444911039655
复制
发表时间：
2012-04
期刊：
影响因子：
--
通讯作者：
Cowtan K
中科院分区：
文献类型：
--
作者：
Cowtan K
介绍了在Buccaneer软件中自动蛋白质模型建立过程中的两个发展：使用蛋白质片段数据库来提高模型的完整性和将断开的链片段组装成完整的分子。介绍了Buccaneer软件中蛋白质模型自动构建过程的两个进展。描述了一个通用的任意大小的蛋白质片段库，具有高度优化的搜索方法，允许使用比以前的工作更大的数据库。讨论了将自动构建的模型组装成完整链的问题。这包括将断开的链片段组装成完整的分子，以及使用蛋白质片段数据库来提高模型的完整性。将片段组装成分子是现有模型构建软件中的标准步骤，但该方法在文献中尚未得到详细讨论。
Two developments in the process of automated protein model building in the Buccaneer software are described: the use of a database of protein fragments in improving the model completeness and the assembly of disconnected chain fragments into complete molecules. Two developments in the process of automated protein model building in the Buccaneer software are presented. A general-purpose library for protein fragments of arbitrary size is described, with a highly optimized search method allowing the use of a larger database than in previous work. The problem of assembling an autobuilt model into complete chains is discussed. This involves the assembly of disconnected chain fragments into complete molecules and the use of the database of protein fragments in improving the model completeness. Assembly of fragments into molecules is a standard step in existing model-building software, but the methods have not received detailed discussion in the literature.