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OS: Linux, SGI

License: free for academic users

AutoAssign is a constraint-based expert system for automating the analysis of backbone resonance assignments using NMR spectra of small proteins. Originally developed in the Lisp programming language [1] the current version of AutoAssign includes a C++ server supported for SGI computer systems, together with a graphical user interface implemented in Java for multiplatform use. The C++/Java AutoAssign automates the assignments of HN, NH, CO, C-alpha, C-beta, and H-alpha resonances from a set of peak-picked triple-resonance NMR spectra[1]. Test data provided with the program include several independently-collected triple-resonance NMR peak lists for proteins ranging in size from ~6 to ~18 kD. With these real data, AutoAssign obtains nearly complete resonance assignments (~98%) with virtually no errors (< 0.5%). The constraint-based algorithm limits assignments to only those with significant evidence. AutoAssign performs the automated analysis of backbone resonance assignments in only seconds on current RISC and Pentium-based platforms.