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International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossmann and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 25.1, p. 692
Section 25.1.8.2. HBPLUS
a
Biomolecular Crystallography Laboratory, CABM & Rutgers University, 679 Hoes Lane, Piscataway, NJ 08854-5638, USA, and Institute of Biochemistry and Cell Biology, Chinese Academy of Sciences, Yue-Yang Road, Shanghai 200 031, People's Republic of China, and bBiomolecular Crystallography Laboratory, CABM & Rutgers University, 679 Hoes Lane, Piscataway, NJ 08854-5638, USA |
HBPLUS
(McDonald & Thornton, 1994![[link]](/graphics/greenarr.gif)
) is a hydrogen-bond calculation program. It can calculate the geometries of all hydrogen bonds; optionally list neighbour interactions; calculate hydrogen-atom positions; deal with hydrogen atoms that can occupy more than one position; optionally include amino–aromatic hydrogen bonds; support full customization, such as hydrogen-bond criteria and donor- and acceptor-atom types; analyse hydrogen bonding near Asn, Gln and His side chains and suggest optimal conformations, etc.
Location: http://www.biochem.ucl.ac.uk/bsm/hbplus/home.html . Operating systems: UNIX and VAX/VMS. Type: binary. Language: C. Distribution: free academic.
References
McDonald, I. K. & Thornton, J. M. (1994). Satisfying hydrogen bonding potential in proteins. J. Mol. Biol. 238, 777–793.Google Scholar
