Cragnolini, T.; Sahota, H.; Joseph, A. P.; Sweeney, A.; Malhotra, S.; Vasishtan, D.; Topf, M. TEMPy2: a Python library with improved 3D electron microscopy density-fitting and validation workflows. Acta crystallographica. Section D, Structural biology, 2021, 77, 41-47
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.