TEMPy2: a Python']Python library with improved 3D electron microscopy density-fitting and validation workflows

被引：23

作者：

Cragnolini, Tristan ^{[1
]}

Sahota, Harpal ^{[1
]}

Joseph, Agnel Praveen ^{[1
,5
]}

Sweeney, Aaron ^{[1
]}

Malhotra, Sony ^{[1
]}

Vasishtan, Daven ^{[2
]}

Topf, Maya ^{[1
,3
,4
]}

机构：

[1] Birkbeck Univ Coll London, Inst Struct & Mol Biol, London, England

[2] Univ Oxford, Oxford Particle Imaging Ctr, Wellcome Trust Ctr Human Genet, Div Struct Biol, Oxford, England

[3] Leibniz Inst Expt Virol, Heinrich Pette Inst, Ctr Struct Syst Biol, Hamburg, Germany

[4] Univ Klinikum Hamburg Eppendorf, Hamburg, Germany

[5] Res Complex Harwell, Sci & Technol Facil Council, Didcot, Oxon, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2021年 / 77卷

基金：

英国惠康基金; 英国生物技术与生命科学研究理事会; 英国医学研究理事会;

关键词：

three-dimensional electron microscopy; model fitting; validation; fitting scores; model assessment; macromolecular complexes; TEMPy2; EM RECONSTRUCTIONS; RESOLUTION; MODEL; REFINEMENT; MAPS; FIT;

D O I：

10.1107/S2059798320014928

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Structural determination of molecular complexes by cryo-EM requires large, often complex processing of the image data that are initially obtained. Here, TEMPy2, an update of the TEMPy package to process, optimize and assess cryo-EM maps and the structures fitted to them, is described. New optimization routines, comprehensive automated checks and workflows to perform these tasks are described.

引用

页码：41 / 47

页数：7

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