NMR > Resources > Software

From COLMAR Metabolomics Web Portal (spin.ccic.ohio-state.edu):

• PPM: an ensemble based chemical shifts predictor: (link to spin.ccic.osu.edu.edu web server)
• DEEP Picker: a deep neural network for accurate deconvolution of complex NMR spectra: (link to spin.ccic.osu.edu web server)
• Structure based backbone NH and methyl group order parameter predictor: (link to spin.ccic.osu.edu.edu web server)
• Covariance programs: (nmrPipe au) (link to spin.ccic.osu.edu web server)

Other Software

• GUARDD: a versatile software for NMR relaxation dispersion analysis. (Developed by Prof. Foster's group)
• Nmrglue: a module for working with NMR data in Python (Developed by Jonathan Helmus from Prof. Jaroniec's group)
• 4D covariance program in matlab (download link) (Provided by Prof. Yang"s group @ National University of Singapore)
• ChemEx: Program for analysis of relaxation dispersion and CEST data via exact numerical integration of experiments (Developed in collaboration with Guillaume Bouvignies, French National Centre for Scientific Research)