mailRe: 15N data at 1 field, 2H data


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Posted by Edward d'Auvergne on March 21, 2008 - 21:38:
Hi,

If you are following this thread from the relax-users mail archive
(https://mail.gna.org/public/relax-users/), then you will find the
response at https://mail.gna.org/public/relax-users/2008-03/msg00004.html.

Regards,

Edward


On Tue, Mar 18, 2008 at 1:01 PM, Keith L Constantine
<keith.constantine@xxxxxxx> wrote:

 Dear relax users:

 I have a couple of questions regarding the relax program.

 First, the example scripts for model-free selection and optimization
described in the relax manual utilize 15N relaxation data recorded at two or
three fields. Does anyone have advice/experience in using relax to fit T1,
T2 and NOE data recorded at only one field, particularly to models that
include anisotropic global motion?

 Idealy, I would like to follow a local tm approach to model-free model
selection and optimization, as recently described [d'Auvergne and Gooley
(2008) J. Biomol. NMR 40, 107-119; ibid., 121-133], rather than a "diffusion
seeded" approach. With data at one field, this analysis would be limted to
models tm0 through tm3, and tm9. Are there relax scripts available for this
type of an analysis with data at one field? Also, again using data from only
one field, could one readily discern from the results of a local tm analysis
if isotropic diffusion models are adequate? If adequate, this would allow
fitting the data to models m0 through m5, and m9.

 A final question - have any facilites been added to relax (or planned) for
fitting methyl 2H relaxation data?

 Thank you very much for your consideration. Any suggestions would be
greatly appreciated.

       Keith Constantine

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