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Protein Sci. 2019 Nov 15. doi: 10.1002/pro.3791. [Epub ahead of print]

Current Developments in Coot for Macromolecular Model Building of Electron Cryo-microscopy and Crystallographic Data.

Author information

1
MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, UK.
2
Division of Molecular Structural Biology, Department of Medical Biochemistry and Biophysics, Karolinska Institutet, Stockholm, Sweden.

Abstract

Coot is a tool widely used for model building, refinement and validation of macromolecular structures. It has been extensively used for crystallography and, more recently, improvements have been introduced to aid in cryo-EM model building and refinement, as cryo-EM structures with resolution ranging 2.5-4 A are now routinely available. Model building into these maps can be time consuming and requires experience in both biochemistry and building into low-resolution maps. To simplify and expedite the model building task, and minimize the needed expertise, new tools are being added in Coot. Some examples include morphing, Geman-McClure restraints, full chain refinement and Fourier-model based residue-type-specific Ramachandran restraints. Here we present the current state-of-the-art in Coot usage. This article is protected by copyright. All rights reserved.

KEYWORDS:

Ligands; Macromolecular Model Building; Molecular Biophysics; Real Space Refinement; Rotamers; Validation

PMID:
31730249
DOI:
10.1002/pro.3791

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