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Current developments in Coot for macromolecular model building of Electron Cryo-microscopy and Crystallographic Data.

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.

SUBMITTER: Casanal A

PROVIDER: S-EPMC7096722 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature

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Current developments in Coot for macromolecular model building of Electron Cryo-microscopy and Crystallographic Data.

Casañal Ana A Lohkamp Bernhard B Emsley Paul P

Protein science : a publication of the Protein Society 20200302 4

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 ...[more]

PMID: 31730249

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