Handling ligands with Coot

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

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray / methods*
  • Ligands
  • Models, Molecular
  • Software

Substances

  • Ligands