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Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):425-30. doi: 10.1107/S0907444912000200. Epub 2012 Mar 16.

Handling ligands with Coot.

Author information

1
Structure and Biophysics, DS, AstraZeneca, Alderley Park SK10 4TG, England. judit.debreczeni@astrazeneca.com

Abstract

Coot is a molecular-graphics application primarily aimed to assist in model building and validation of biological macromolecules. Recently, tools have been added to work with small molecules. The newly incorporated tools for the manipulation and validation of ligands include interaction with PRODRG, subgraph isomorphism-based tools, representation of ligand chemistry, ligand fitting and analysis, and are described here.

PMID:
22505262
PMCID:
PMC3322601
DOI:
10.1107/S0907444912000200
[Indexed for MEDLINE]
Free PMC Article

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