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

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 optimizati...

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Detalles Bibliográficos
Autores principales: Cragnolini, Tristan, Sahota, Harpal, Joseph, Agnel Praveen, Sweeney, Aaron, Malhotra, Sony, Vasishtan, Daven, Topf, Maya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Ccp4
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7787107/
https://www.ncbi.nlm.nih.gov/pubmed/33404524
http://dx.doi.org/10.1107/S2059798320014928
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author Cragnolini, Tristan
Sahota, Harpal
Joseph, Agnel Praveen
Sweeney, Aaron
Malhotra, Sony
Vasishtan, Daven
Topf, Maya
author_facet Cragnolini, Tristan
Sahota, Harpal
Joseph, Agnel Praveen
Sweeney, Aaron
Malhotra, Sony
Vasishtan, Daven
Topf, Maya
author_sort Cragnolini, Tristan
collection PubMed
description 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.
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spelling pubmed-77871072021-01-29 TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows Cragnolini, Tristan Sahota, Harpal Joseph, Agnel Praveen Sweeney, Aaron Malhotra, Sony Vasishtan, Daven Topf, Maya Acta Crystallogr D Struct Biol Ccp4 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. International Union of Crystallography 2021-01-01 /pmc/articles/PMC7787107/ /pubmed/33404524 http://dx.doi.org/10.1107/S2059798320014928 Text en © Cragnolini et al. 2021 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Ccp4
Cragnolini, Tristan
Sahota, Harpal
Joseph, Agnel Praveen
Sweeney, Aaron
Malhotra, Sony
Vasishtan, Daven
Topf, Maya
TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows
title TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows
title_full TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows
title_fullStr TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows
title_full_unstemmed TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows
title_short TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows
title_sort tempy2: a python library with improved 3d electron microscopy density-fitting and validation workflows
topic Ccp4
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7787107/
https://www.ncbi.nlm.nih.gov/pubmed/33404524
http://dx.doi.org/10.1107/S2059798320014928
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