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