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TEMPy 2: a Python library with improved 3D electron microscopy density‐fitting and validation workflows
Author(s) -
Cragnolini Tristan,
Sahota Harpal,
Joseph Agnel Praveen,
Sweeney Aaron,
Malhotra Sony,
Vasishtan Daven,
Topf Maya
Publication year - 2021
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.374
H-Index - 138
ISSN - 2059-7983
DOI - 10.1107/s2059798320014928
Subject(s) - python (programming language) , workflow , computer science , cryo electron microscopy , computational science , process (computing) , computer graphics (images) , database , programming language , physics , nuclear magnetic resonance
Structural determination of molecular complexes by cryo‐EM requires large, often complex processing of the image data that are initially obtained. Here, TEMPy 2, 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.