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

Tristan CragnoliniHarpal SahotaAgnel Praveen JosephAaron SweeneySony MalhotraDaven VasishtanMaya Topf

Published in: Acta crystallographica. Section D, Structural biology (2021)

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.

Keyphrases

electron microscopy
deep learning
electronic health record
machine learning
working memory
big data
high throughput
solid phase extraction
high resolution
artificial intelligence
molecularly imprinted
single molecule
data analysis
mass spectrometry