Hi Troels, You may have noticed that I have been updating the tutorial for adding dispersion models to relax (http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax). I am still expanding this, but there are 3 new sections that you should look at for the TSMFK01 model. These are:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_auto-analysis http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_GUI http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#The_relax_manual These still need to be completed for your model. If you have any suggestions for improving or simplifying this tutorial, they are most welcome. Regards, Edward On 3 September 2013 13:31, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > Oh, the truncated versions of the peak lists should only contain ~2 > spins. These spins should be the best representation of the model. > > Regards, > > Edward > > On 3 September 2013 13:29, Edward d'Auvergne <edw...@nmr-relax.com> wrote: >> I would suggest the following: >> >> - Come up with a directory name for the test data. Ask for this to be >> created, with a commit message. I don't know how well git-svn handles >> this part, so I can create it for you. Lets try with git-svn and see >> what happens. >> >> - Attach the peak lists to the support request >> (http://gna.org/support/?3071) and ask to have them added to the >> directory (with commit message). We can try with git-svn, i.e. you >> add the files, but maybe I have to do that for you with pure svn. >> >> - Make truncated versions of these files (ending in _trunc.*) and add these. >> >> - Add a script which performs the full analysis in relax for the >> model. Also a script which performs the analysis using only the R2eff >> model. See the test_suite/shared_data/dispersion/Hansen/*.py scripts >> for reference - these scripts can even be copied to your data >> directory and modified. >> >> - Copy the full analysis script to >> test_suite/system_tests/scripts/relax_disp/ with an appropriate name. >> This can then be used in a new system test. >> >> Regards, >> >> Edward >> >> >> >> >> On 3 September 2013 12:59, Troels Emtekær Linnet <tlin...@gmail.com> wrote: >>> Should I then make a state file with the pipes 'R2eff', 'No Rex' and >>> then delete or deselect spins, >>> before saving. >>> >>> And then make a test which loads this saved state, and minimise? >>> >>> Best >>> Troels >>> >>> Troels Emtekær Linnet >>> >>> >>> 2013/9/3 Edward d'Auvergne <edw...@nmr-relax.com>: >>>> I'm still getting the test suite to be happy on MS Windows. I'll look >>>> into this soon. I think that the kA parameter should be renamed as >>>> k_AB throughout. It is also missing from the table in the relax >>>> manual. You should now also be looking at getting some of your >>>> dispersion data into the relax test suite and to set up a system test >>>> (which is the tests you have been running, but restricted to 1-2 >>>> spins). >>>> >>>> Regards, >>>> >>>> Edward >>>> >>>> On 3 September 2013 09:59, Troels Emtekær Linnet <tlin...@gmail.com> wrote: >>>>> With these patches I am know able to run an analysis with the TSMFK01 as >>>>> model. >>>>> >>>>> I am now looking into the results of this run, and compare to the article. >>>>> >>>>> >>>>> >>>>> >>>>> Troels Emtekær Linnet >>>>> >>>>> >>>>> 2013/9/3 Troels E. Linnet <no-reply.invalid-addr...@gna.org> >>>>> >>>>>> Follow-up Comment #17, sr #3071 (project relax): >>>>>> >>>>>> Renaming ka to kA, and fixing the extraction of parameters. >>>>>> >>>>>> (file #18838) >>>>>> _______________________________________________________ >>>>>> >>>>>> Additional Item Attachment: >>>>>> >>>>>> File name: fix.patch.tar.gz Size:1 KB >>>>>> >>>>>> >>>>>> _______________________________________________________ >>>>>> >>>>>> Reply to this item at: >>>>>> >>>>>> <http://gna.org/support/?3071> >>>>>> >>>>>> _______________________________________________ >>>>>> Message sent via/by Gna! >>>>>> http://gna.org/ >>>>>> >>>>> _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
