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Features and development of Coot

Features and development of Coot Coot is a molecular‐graphics application for model building and validation of biological macromolecules. The program displays electron‐density maps and atomic models and allows model manipulations such as idealization, real‐space refinement, manual rotation/translation, rigid‐body fitting, ligand search, solvation, mutations, rotamers and Ramachandran idealization. Furthermore, tools are provided for model validation as well as interfaces to external programs for refinement, validation and graphics. The software is designed to be easy to learn for novice users, which is achieved by ensuring that tools for common tasks are `discoverable' through familiar user‐interface elements (menus and toolbars) or by intuitive behaviour (mouse controls). Recent developments have focused on providing tools for expert users, with customisable key bindings, extensions and an extensive scripting interface. The software is under rapid development, but has already achieved very widespread use within the crystallographic community. The current state of the software is presented, with a description of the facilities available and of some of the underlying methods employed. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section D Wiley

Features and development of Coot

16 pages

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References (48)

Publisher
Wiley
Copyright
? Emsley et al. 2010
ISSN
1399-0047
eISSN
1399-0047
DOI
10.1107/S0907444910007493
pmid
20383002
Publisher site
See Article on Publisher Site

Abstract

Coot is a molecular‐graphics application for model building and validation of biological macromolecules. The program displays electron‐density maps and atomic models and allows model manipulations such as idealization, real‐space refinement, manual rotation/translation, rigid‐body fitting, ligand search, solvation, mutations, rotamers and Ramachandran idealization. Furthermore, tools are provided for model validation as well as interfaces to external programs for refinement, validation and graphics. The software is designed to be easy to learn for novice users, which is achieved by ensuring that tools for common tasks are `discoverable' through familiar user‐interface elements (menus and toolbars) or by intuitive behaviour (mouse controls). Recent developments have focused on providing tools for expert users, with customisable key bindings, extensions and an extensive scripting interface. The software is under rapid development, but has already achieved very widespread use within the crystallographic community. The current state of the software is presented, with a description of the facilities available and of some of the underlying methods employed.

Journal

Acta Crystallographica Section DWiley

Published: Apr 1, 2010

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