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Palmer Laboratory Software and Scripts

The software available for downloading from this site generally is in compiled binary form. If you need access to source code or executables for other computer architectures, please contact Arthur G. Palmer (agp6@columbia.edu) In most cases, you must have a license from Numerical Recipes before source code can be made available to you. You can obtain license information from Numerical Recipes.

Software development has been supported by the National Institutes of Health (GM50291) and National Science Foundation (MCB9722392). Any opinions, finding and conclusi on or recomendations expressed in this material are those of the author and do not necessarily reflect the views of the National Institutes of Health (NIH) or the National Science Foundation (NSF).

Program packages for analyzing NMR relaxation data using the "Lipari-Szabo model-free" formalism.

(Fits model-free parameters to relaxation rates)

Data processing scripts
(Extracts the intensities from a series of Felix spectra, shuffles raw data into intensity versus time files for each residue, and feeds these data into the CurveFit and ModelFree programs. Many of the scripts are useful even if you do not use Felix for processing)

Model selection
(Notes on the statistical approach to selection of model-free parameters)

(Neural network trained to predict generalized order parameters for backbone amide nitrogen-15 spins in proteins from pdb files)

Programs for analyzing interia and diffusion tensors of macromolecules.

Programs for analyzing rotating frame NMR relaxation data to characterize conformational exchange processes .

(Fits CPMG relaxation dispersion data)

Programs for general curve-fitting or other data analysis.

(Least squares fitting program; commonly used to obtain relaxation rate constants from intensity versus time data, to fit spectral density values with the model-free formalism, or to analyze relaxation dispersion curves)

Pulsing and Processing

Pulse programs for Bruker AMX spectrometers and accompanying processing macros for Felix.

Bruker AMX pulse programs
Felix 2.3 processing macros

Updated 8/03/01 (agp6@columbia.edu)