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New tools for automated cryo-EM single-particle analysis in RELION-4.0

Open access
Kimanius, Dari, Dong, Liyi, Sharov, Grigory, Nakane, Takanori, Scheres, Sjors H. W.·2021·Biochemical Journal

Abstract

We describe new tools for the processing of electron cryo-microscopy (cryo-EM) images in the fourth major release of the RELION software. In particular, we introduce VDAM, a variable-metric gradient descent algorithm with adaptive moments estimation, for image refinement; a convolutional neural network for unsupervised selection of 2D classes; and a flexible framework for the design and execution of multiple jobs in pre-defined workflows. In addition, we present a stand-alone utility called MDCatch that links the execution of jobs within this framework with metadata gathering during microscope data acquisition. The new tools are aimed at providing fast and robust procedures for unsupervised cryo-EM structure determination, with potential applications for on-the-fly processing and the development of flexible, high-throughput structure determination pipelines. We illustrate their potential on 12 publicly available cryo-EM data sets.

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Crossref · 10.1042/bcj20210708

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Metadata

Authors
Kimanius, D., Dong, L., Sharov, G., Nakane, T., & Scheres, S. H. W.
Venue
Biochemical Journal
Published
2021-12-16
Volume
478
Issue
24
Pages
4169-4185
ISSN
  • 0264-6021 (ISSN-L)
  • 1470-8728
OpenAlex
W3213779066
Cited by
1,086
References
4
FWCI
58.50
Type
journal article
Language
en
Open access
hybrid

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