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NMR Scripts

Nuclear Magnetic Resonance Group

The Nuclear Magnetic Resonance Group developed the following scripts with NMRView 5.0.4 for the analysis of multidimensional NMR data. No warranties, liabilities, etc., are implied. This is attempted to be correct in good faith.


NMRView Scripts: 

  • Updates and Corrections:


    • modelfree.tcl (26KB)
      This includes the lab's corrections to the NMRView 5.0.4 modelfree.tcl script

 

    • relaxation.tcl (27KB)
      This includes corrections by Patrick Fintery and the WriteRex button the NMR Group lab wrote. The output of the WriteRex is designed for the matlab scripts below. The output is -1/T ln I/Io. There is now a place for T to be filled in.

 

  • TCL Scripts:


    • eu.tcl (309B)
      This will 'unify' all the cbca windows to the same level and negative coloring.

 

    • cross.tcl (7KB)
      This contains a number of common macros such as 'zoom to crosshairs', etc.

 

    • mother.tcl (19KB)
      This is a completely window driven tool for analyzing the mother noesy.

 

    • 4d.tcl (17KB)
      This is a similar NOE analysis tool for the 4d HC-NH noesy. Assumes the dimensions are in that order.

 

    • 4d-ron.tcl (17KB)
      Rewritten by the NMR Group lab, this script transforms data to be in the order 'HC-HN-C-N'; do not use the above NOESY tools simultaneously!

Matlab Scripts:

  • fit_Rex.tar.gz (29KB)
    These are matlab scripts to fit Rex. They were written by Frans Mulder, Nikolai Skyrnnikov, and Martin Tollinger.

Perl Scripts:

  • mf_aic.pl (2KB)
    This is a perl script to extract modelfree model selection using AIC criteria. Instructions are in the header.

 

Contact

Robert London, Ph.D. (http://www.niehs.nih.gov/research/atniehs/labs/lsb/nmr/index.cfm)
Principal Investigator
Tel (919) 541-4879
Fax (919) 541-5707
london@niehs.nih.gov

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