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bioRxiv · 10.1101/246587

An integrated, pipeline-based approach for cryo-EM structure determination and atomic model refinement in the cloud

Cianfrocco, M. A.·Lahiri, I.·DiMaio, F.·Leschziner, A. E.
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Abstract

Access to streamlined computational resources remains a significant bottleneck for new users of cryo-electron microscopy (cryo-EM). To address this, we have built upon our previous work (Cianfrocco & Leschziner 2015) to develop software 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 [A] structure of {beta}-galactosidase in ~55 hours 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.

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Cianfrocco, M. A., Lahiri, I., DiMaio, F., Leschziner, A. E.. 2018-01-11. An integrated, pipeline-based approach for cryo-EM structure determination and atomic model refinement in the cloud. https://doi.org/10.1101/246587

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