PMID- 22505262 OWN - NLM STAT- MEDLINE DA - 20120416 DCOM- 20120619 LR - 20141016 IS - 1399-0047 (Electronic) IS - 0907-4449 (Linking) VI - 68 IP - Pt 4 DP - 2012 Apr TI - Handling ligands with Coot. PG - 425-30 LID - 10.1107/S0907444912000200 [doi] AB - 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. FAU - Debreczeni, Judit E AU - Debreczeni JE AD - Structure and Biophysics, DS, AstraZeneca, Alderley Park SK10 4TG, England. judit.debreczeni@astrazeneca.com FAU - Emsley, Paul AU - Emsley P LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20120316 PL - United States TA - Acta Crystallogr D Biol Crystallogr JT - Acta crystallographica. Section D, Biological crystallography JID - 9305878 RN - 0 (Ligands) SB - IM MH - Crystallography, X-Ray/*methods MH - Ligands MH - Models, Molecular MH - Software PMC - PMC3322601 OID - NLM: PMC3322601 EDAT- 2012/04/17 06:00 MHDA- 2012/06/20 06:00 CRDT- 2012/04/17 06:00 PHST- 2011/08/25 [received] PHST- 2012/01/03 [accepted] PHST- 2012/03/16 [epublish] AID - S0907444912000200 [pii] AID - 10.1107/S0907444912000200 [doi] PST - ppublish SO - Acta Crystallogr D Biol Crystallogr. 2012 Apr;68(Pt 4):425-30. doi: 10.1107/S0907444912000200. Epub 2012 Mar 16.