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

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

Author information

1
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. Electronic address: mcianfro@umich.edu.
2
Department of Cellular & Molecular Medicine, University of California - San Diego, La Jolla, CA, United States.
3
Department of Biochemistry, University of Washington, Seattle, United States; Institute for Protein Design, University of Washington, Seattle, WA, United States.
4
Department of Cellular & Molecular Medicine, University of California - San Diego, La Jolla, CA, United States; Section of Molecular Biology, Division of Biology, University of California - San Diego, La Jolla, CA, United States.

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.

KEYWORDS:

Amazon Web Services; Cloud computing; Cryo-electron microscopy

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