MULTI-PATH SIMULATED ANNEALING FOR VIRUS PARTICLE RECONSTRUCTION

这个子项目是许多研究子项目中利用 资源由NIH/NCRR资助的中心拨款提供。子项目和 调查员(PI)可能从NIH的另一个来源获得了主要资金， 并因此可以在其他清晰的条目中表示。列出的机构是 该中心不一定是调查人员的机构。 开发了用于二十面体病毒颗粒重建的SAVR软件包。该软件已经成功地解决了几种亚纳米级的病毒颗粒结构。正在不断改进，以使其更加强大和普遍。我们在EMAN框架下提出了一种新的多路径模拟退火法，用于最小化原始粒子图像和模型投影之间的交叉公共线的残差。利用这种蒙特卡罗算法，开发了一种一致性标准，该标准可以可靠地识别正确对准的粒子与不正确对准的低质量粒子。

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. The SAVR software package was developed for icosahedral virus particle reconstruction. This software has successfully solved several virus particle structures to sub-nanometer resolution. Continuous improvements are being made to make it more robust and universal. We have developed a novel multi-path simulated annealing (multi-path SA) algorithm within the EMAN framework which was used to minimize the residual of the cross common lines between the raw particle image and model projections. With this Monte Carlo algorithm, a consistency criterion was developed that reliably identifies correctly aligned particles vs. incorrectly aligned and low-quality particles.