C ALPHA CHAIN TRACE BASED ON CRYOEM MAPS

这个子项目是利用由NIH/NCRR资助的中心拨款提供的资源的许多研究子项目之一。子项目和调查员(PI)可能从另一个NIH来源获得了主要资金，因此可能会出现在其他CRISE条目中。列出的机构是针对中心的，而不一定是针对调查员的机构。我们的目标是开发一种新的框架，用于从中分辨率的CryoEM图进行半自动到全自动的建模。这种方法是基于计算一种简化的、被称为骨架的低温EM图的几何表示。骨架的几何和拓扑反映了密度图的重要形状和连通性信息，这反过来又使得在一个连贯的框架内自动识别二级结构元素和建立伪原子蛋白质模型成为可能。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. We aim to develop a novel framework for semi- to fully- automated model building from a cryoEM map at intermediate resolution. This methodology is based on computing a simplified, geometric representation of the cryoEM map, known as the skeleton. The geometry and topology of the skeleton reflect important shape and connectivity information of the density map, which in turn enables the possibility of automating the identification of secondary structure elements and building of pseudo-atomic protein models within one coherent framework.