HABAS

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.

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.