QUASI:Quick Access to Spectral Interpretation

摘要

QUASI is a set of software tools that facilitate rapid interpretation of heteronuclear spectra of proteins.The first module establishes sequential connectivities semi-automatically using standard triple-resonance experiments(HNCA,HN(CO)CA,etc.).The result is a set of chain fragments for which the sequential assignment is unambiguous.The second module allows the chain fragments to be placed on the sequence by calculating a score reflecting agreement between experimental and theoretical parameters.The graphical interface of QUASI presents a concise view of the complete set of data,thus facilitating spectral interpretation.The use of QUASI is illustrated with two examples.To cite this article:M.-A.Coutouly et al,C.R.Chimie 7(2004).