Hi Oliver,

Analysis doesn't currently have the code to do model free fitting that would give you S^2, taue etc. The procedure most people use is to export the peak data via a text format and run Art Palmer's programs, FMF or Relax for the analysis itself. You'll find some discussion of how to do these in the archives.

I have a semi-complete gui solution for exporting from CCPN to Relax if you're up for a bit of Python code debugging.

Brian Smith

Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
          College of Medical, Veterinary & Life Sciences,
  Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089
----------------------------------------------------------------------
The University of Glasgow, charity number SC004401

From: CcpNmr software mailing list [[log in to unmask]] on behalf of Oliver Arnolds [[log in to unmask]]
Sent: 18 June 2018 10:15
To: [log in to unmask]
Subject: Exporting values from relaxation macro

Dear all,

 

a student of mine is doing a relaxation analysis of her protein using T1 and T2 with Analysis2.4.2. My question now is: Is there a way to export the calculated values for S^2, tau(e) and R(ex) you can calculate from T1 and T2 using the relaxation macro and not just print the graphs to a postscript-file?

I did not find anything on this in the mailing list or the wiki so any help is very appreciated!

 

Thank you all in advance,

 

Oliver

 

-- 

Oliver Arnolds, M.Sc.

AG Biomolekulare NMR (NC5/173)

Faculty of Chemistry and Biochemistry

Ruhr-University Bochum

Universitaetsstrasse 150

44801 Bochum

Germany

 

Tel.: +49 234 32-26246



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