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
Descripción
Sumario: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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