HABAS
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Revision as of 11:15, 4 June 2009
Grid search and stereospecific assignment algorithm
The program HABAS determines torsion angle constraints for the torsion angles PHI, PSI and CHI1 in proteins and stereospecific assignments for the beta-methylene protons by a systemtic grid search analysis of the vicinal scalar couplings and the intraresidual and sequential proton-proton nuclear Overhauser effects in molecular fragments defined by the PHI, PSI and CHI1 torsion angles.
Availability
References
- Güntert, P., Braun, W., Billeter, M. & Wüthrich, K. Automated stereospecific 1H NMR assignments and their impact on the precision of protein structure determinations in solution. J. Amer. Chem. Soc. 111, 3997-4004 (1989).
- Any reports or publications of results obtained with HABAS must cite this paper.
