Cargando…

Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data

Coot is a tool widely used for model building, refinement, and validation of macromolecular structures. It has been extensively used for crystallography and, more recently, improvements have been introduced to aid in cryo‐EM model building and refinement, as cryo‐EM structures with resolution rangin...

Descripción completa

Detalles Bibliográficos
Autores principales: Casañal, Ana, Lohkamp, Bernhard, Emsley, Paul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley & Sons, Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7096722/
https://www.ncbi.nlm.nih.gov/pubmed/31730249
http://dx.doi.org/10.1002/pro.3791
_version_ 1783510895087845376
author Casañal, Ana
Lohkamp, Bernhard
Emsley, Paul
author_facet Casañal, Ana
Lohkamp, Bernhard
Emsley, Paul
author_sort Casañal, Ana
collection PubMed
description Coot is a tool widely used for model building, refinement, and validation of macromolecular structures. It has been extensively used for crystallography and, more recently, improvements have been introduced to aid in cryo‐EM model building and refinement, as cryo‐EM structures with resolution ranging 2.5–4 A are now routinely available. Model building into these maps can be time‐consuming and requires experience in both biochemistry and building into low‐resolution maps. To simplify and expedite the model building task, and minimize the needed expertise, new tools are being added in Coot. Some examples include morphing, Geman‐McClure restraints, full‐chain refinement, and Fourier‐model based residue‐type‐specific Ramachandran restraints. Here, we present the current state‐of‐the‐art in Coot usage.
format Online
Article
Text
id pubmed-7096722
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher John Wiley & Sons, Inc.
record_format MEDLINE/PubMed
spelling pubmed-70967222020-03-26 Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data Casañal, Ana Lohkamp, Bernhard Emsley, Paul Protein Sci Tools for Protein Science Coot is a tool widely used for model building, refinement, and validation of macromolecular structures. It has been extensively used for crystallography and, more recently, improvements have been introduced to aid in cryo‐EM model building and refinement, as cryo‐EM structures with resolution ranging 2.5–4 A are now routinely available. Model building into these maps can be time‐consuming and requires experience in both biochemistry and building into low‐resolution maps. To simplify and expedite the model building task, and minimize the needed expertise, new tools are being added in Coot. Some examples include morphing, Geman‐McClure restraints, full‐chain refinement, and Fourier‐model based residue‐type‐specific Ramachandran restraints. Here, we present the current state‐of‐the‐art in Coot usage. John Wiley & Sons, Inc. 2020-03-02 2020-04 /pmc/articles/PMC7096722/ /pubmed/31730249 http://dx.doi.org/10.1002/pro.3791 Text en © 2019 The Authors. Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society. This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Tools for Protein Science
Casañal, Ana
Lohkamp, Bernhard
Emsley, Paul
Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
title Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
title_full Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
title_fullStr Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
title_full_unstemmed Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
title_short Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
title_sort current developments in coot for macromolecular model building of electron cryo‐microscopy and crystallographic data
topic Tools for Protein Science
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7096722/
https://www.ncbi.nlm.nih.gov/pubmed/31730249
http://dx.doi.org/10.1002/pro.3791
work_keys_str_mv AT casanalana currentdevelopmentsincootformacromolecularmodelbuildingofelectroncryomicroscopyandcrystallographicdata
AT lohkampbernhard currentdevelopmentsincootformacromolecularmodelbuildingofelectroncryomicroscopyandcrystallographicdata
AT emsleypaul currentdevelopmentsincootformacromolecularmodelbuildingofelectroncryomicroscopyandcrystallographicdata