期刊
PROTEIN SCIENCE
卷 29, 期 4, 页码 1069-1078出版社
WILEY
DOI: 10.1002/pro.3791
关键词
ligands; macromolecular model building; molecular biophysics; real space refinement; rotamers; validation
资金
- European Molecular Biology Organization [ALTF66-2015]
- FP7 People: Marie-Curie Actions [ERC 725685, GA-2013-609409]
- Medical Research Council [MC_U105184330, MC_U105192715, MC_UP_A025_1012]
- Rontgen-Angstrom Cluster [349-2013-597]
- Rontgen Angstrom Cluster
- UK Research and Innovation
- European Union's Horizon 2020 research and innovation programme
- European Commission
- MRC [MC_U105192715, MC_UP_A025_1012, MC_U105184330] Funding Source: UKRI
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.
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