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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Vydané v:Biochemical journal Ročník 478; číslo 24; s. 4169
Hlavní autori: Kimanius, Dari, Dong, Liyi, Sharov, Grigory, Nakane, Takanori, Scheres, Sjors H W
Médium: Journal Article
Jazyk:English
Vydavateľské údaje: England 22.12.2021
Predmet:
Algorithms
Cryoelectron Microscopy - methods
Proteins - ultrastructure
Ribosomes - ultrastructure
Software
computational biochemistry
structural biology
imaging techniques
cryo-electron microscopy
ISSN:1470-8728, 1470-8728
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Popis
Shrnutí: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.
Bibliografia:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1470-8728
1470-8728
DOI:10.1042/BCJ20210708