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

Acta Crystallogr D Struct Biol. 2021 Jan 1;77(Pt 1):41-47. doi: 10.1107/S2059798320014928. Epub 2021 Jan 1.

Abstract

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.

Keywords: TEMPy2; fitting scores; macromolecular complexes; model assessment; model fitting; three-dimensional electron microscopy; validation.

MeSH terms

  • Cryoelectron Microscopy / methods*
  • Image Processing, Computer-Assisted
  • Macromolecular Substances / chemistry*
  • Models, Molecular
  • Molecular Conformation*
  • Software*
  • Workflow

Substances

  • Macromolecular Substances