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AUTOPSY is a new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap. The main elements of this program are a novel function for local noise level calculation, the use of symmetry considerations, and the use of line shapes extracted from well separated peaks for resolving groups of strongly overlapping peaks. The algorithm generates peak lists with precise chemical shift and integral intensities, and a reliability measure for the recognition of each peak.
Publication:
Koradi, R., Billeter, M., Engeli, M., Güntert, P. & Wüthrich,
K. (1998). J. Magn. Reson. 135, 288-297:
Automated Peak Picking and Peak Integration in Macromolecular NMR Spectra
Using AUTOPSY.
Availability:
AUTOPSY is available free-of-charge to all academic users who agree
with the copyright and legal information. They
may download the AUTOPSY package.
Last modified: January 18, 2001
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