SHIFTX2: Chemical Shift Prediction
 

SHIFTX2 website

SHIFTX2 is capable of rapidly and accurately calculating diamagnetic 1H, 13C and 15N chemical shifts from protein coordinate data. Compared to its predecessor (SHIFTX) and to other existing protein chemical shift prediction programs, SHIFTX2 is substantially more accurate (up to 26% better by correlation coefficient with an RMS error that is up to 3.3× smaller) than the next best performing program. It also provides significantly more coverage (up to 10% more), is significantly faster (up to 8.5×) and capable of calculating a wider variety of backbone and side chain chemical shifts (up to 6×) than many other shift predictors. SHIFTX2 is available both as a standalone program and as a web server (http://www.shiftx2.ca).

Latest release : Version 1.07 (04 Jan. 2012)
Developed by Dr. Wishart's Lab