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nmr2modelfree scripts

Scripts to aid the analysis of relaxation data using the CurveFit and ModelFree programs

These scripts are designed to make the conversion of data from Felix (Molecular Simulations, now Accelrys) into the input format for the CurveFit and ModelFree programs a bit more stream-lined.
The tar archive contains a collection of Felix macros for measuring and outputting the peak intensities, and (n)awk and shell scripts for converting the Felix output files into intensity-vs-time data files for each individual residue, and processing these files.

The nawk and shell scripts are designed to be relatively general and should be easy to modify if you do not use Felix for processing. In that case you need to modify scripts so that they read output from your favorite program as is discussed in the manual pages.
If you have written such a script that "interfaces" to another program, and you are willing to share it, then we would appreciate hearing from you, so that we can put in a link to your site here.

look at the manual

download the scripts

If you download these scripts and decide to use the package, then please email us at agp6@columbia.edu, so that we can add you to our users list. This way we can reach you with bug reports and updates.


Hierarchical links

Over to the ModelFree page

Over to the CurveFit page

Palmer Group Home Page


Updated 7/1703 Kemal Eren. Send comments to agp6@columbia.edu