Software: Proteins - NMR

NMR (Nuclear Magnetic Resonance) studies are a source of many important insights into protein structure and dynamics. However, in order to fully explore and understand NMR experimental data one needs software linking those data with molecular simulation calculations.

The ANALYZE software package includes many useful modules for calculating properties of proteins. One of them is its capability of fitting the statistical weights of the conformations so as to achieve the best agreement between the calculated average and experimental NMR NOE spectra and coupling constants.

WEAVE is a suite of programs intended for protein structure determination, refinement and prediction. WEAVE is written in ANSI-compliant C and is covered by the GNU Public License. WEAVE is under rapid development and may change on a weekly basis; suggestions and requests are welcome! WEAVE was written by Drs. Bill Wedemeyer and Jennifer Ekstrom, who thank you very much for using it and citing them. :)