Open AccessHandling ligands with Coot
Author(s) -
Debreczeni Judit É.,
Emsley Paul
Publication year - 2012
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
ISSN - 1399-0047
DOI - 10.1107/s0907444912000200
Subject(s) - representation (politics) , molecular graphics , ligand (biochemistry) , computational biology , computer science , graphics , isomorphism (crystallography) , computer graphics , chemistry , biology , data mining , crystallography , computer graphics (images) , biochemistry , political science , receptor , politics , crystal structure , law
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.