Suppr超能文献

cryoem-cloud-tools:一个用于在云中部署和管理 cryo-EM 任务的软件平台。

cryoem-cloud-tools: A software platform to deploy and manage cryo-EM jobs in the cloud.

机构信息

Department of Cellular & Molecular Medicine, University of California - San Diego, La Jolla, CA, United States; Life Sciences Institute, Department of Biological Chemistry, University of Michigan, Ann Arbor, MI, United States.

Department of Cellular & Molecular Medicine, University of California - San Diego, La Jolla, CA, United States.

出版信息

J Struct Biol. 2018 Sep;203(3):230-235. doi: 10.1016/j.jsb.2018.05.014. Epub 2018 Jun 1.

Abstract

Access to streamlined computational resources remains a significant bottleneck for new users of cryo-electron microscopy (cryo-EM). To address this, we have developed tools that will submit cryo-EM analysis routines and atomic model building jobs directly to Amazon Web Services (AWS) from a local computer or laptop. These new software tools ("cryoem-cloud-tools") have incorporated optimal data movement, security, and cost-saving strategies, giving novice users access to complex cryo-EM data processing pipelines. Integrating these tools into the RELION processing pipeline and graphical user interface we determined a 2.2 Å structure of ß-galactosidase in ∼55 h on AWS. We implemented a similar strategy to submit Rosetta atomic model building and refinement to AWS. These software tools dramatically reduce the barrier for entry of new users to cloud computing for cryo-EM and are freely available at cryoem-tools.cloud.

摘要

访问简化的计算资源仍然是 cryo-electron microscopy (cryo-EM) 的新用户面临的一个重大瓶颈。为了解决这个问题,我们开发了一些工具,可以直接从本地计算机或笔记本电脑将 cryo-EM 分析例程和原子模型构建作业提交到 Amazon Web Services (AWS)。这些新的软件工具(“cryoem-cloud-tools”)采用了最优的数据传输、安全性和节省成本的策略,为新手用户提供了访问复杂 cryo-EM 数据处理管道的途径。我们将这些工具集成到 RELION 处理管道和图形用户界面中,在 AWS 上确定了约 55 小时内β-半乳糖苷酶的 2.2Å 结构。我们实施了类似的策略,将 Rosetta 原子模型构建和细化提交到 AWS。这些软件工具极大地降低了 cryo-EM 云计算新手用户的进入门槛,可在 cryoem-tools.cloud 上免费获得。

相似文献

3
Processing of Structurally Heterogeneous Cryo-EM Data in RELION.RELION中结构异质冷冻电镜数据的处理
Methods Enzymol. 2016;579:125-57. doi: 10.1016/bs.mie.2016.04.012. Epub 2016 May 31.

引用本文的文献

5
Broadening access to cryoEM through centralized facilities.通过集中设施扩大 cryoEM 的使用范围。
Trends Biochem Sci. 2022 Feb;47(2):106-116. doi: 10.1016/j.tibs.2021.10.007.
9
Structure and dynamics of the ASB9 CUL-RING E3 Ligase.ASB9 CUL-RING E3 连接酶的结构与动态
Nat Commun. 2020 Jun 8;11(1):2866. doi: 10.1038/s41467-020-16499-9.

本文引用的文献

7
Gctf: Real-time CTF determination and correction.Gctf:实时对比度传递函数(CTF)测定与校正
J Struct Biol. 2016 Jan;193(1):1-12. doi: 10.1016/j.jsb.2015.11.003. Epub 2015 Nov 19.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验