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

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 netw...

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Bibliographic Details
Published in:Biochemical journal Vol. 478; no. 24; p. 4169
Main Authors: Kimanius, Dari, Dong, Liyi, Sharov, Grigory, Nakane, Takanori, Scheres, Sjors H W
Format: Journal Article
Language:English
Published: England 22.12.2021
Subjects:
Algorithms
Cryoelectron Microscopy - methods
Proteins - ultrastructure
Ribosomes - ultrastructure
Software
computational biochemistry
structural biology
imaging techniques
cryo-electron microscopy
ISSN:1470-8728, 1470-8728
Online Access:Get more information
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Summary: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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ISSN:1470-8728
1470-8728
DOI:10.1042/BCJ20210708