mailRe: To all relax developers: presenting relax at the ENC conference and preliminary BMRB NMR-STAR file creation for model-free results.


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Posted by Sébastien Morin on March 10, 2009 - 18:59:
Hi Ed,

I absolutely agree with your proposal. I would be happy to have my name
on this poster making publicity on relax and its interaction with the BMRB.

Of course, I would like to see the abstract and poster, so I can, maybe,
help...

Concerning the consistency tests, I have been working a bit on this so
tests are available for R1, R2 and NOE, separately. It turns out that
the functions included in the consistency tests code of relax mainly (if
not totally) probe the consistency of R2. During next summer, when the
baby girl has arrived (and I stay home with my wife and her), I will
develop more tests and try to get a short communication out on this
topic. If you want, I can send you (out of the mailing list) a poster I
presented at the MOOT (Eastern Canadian / North USA conference) in
October which presented some ideas related to this topic. However, the
work on this topic is far from complete...

Concerning the ENC, unfortunately for me, I won't be there this year
since I will be visiting a few labs in Europe for a postdoc in 10-15
months at the same time... As I did when presenting my work in McGill
University (Montreal, Canada) in January, I will have a slide showing
relax and giving credits to its developers during my seminar in these
different European labs.

Ok, thank you again for giving us some credits. I may not the one who
contributed most, and so, I really appreciate you including me.

Have a nice day !


Séb  :)




Edward d'Auvergne wrote:
Hi,

relax is now producing a partially complete NMR-STAR formatted file
for model-free results submission.  This is missing a lot of
information - diffusion tensors, bond lengths, CSA values, etc - but
contains the bulk of the model-free results, together with the
relaxation data and a rudimentary entity saveframe.  The file is
attached to the task (https://gna.org/task/index.php?6438).  Eldon, is
there a way I can test putting this file through the ADIT deposition
system to see what is missing or what is broken?

For the ENC conference, I will present a poster titled "How to relax
the BMRB".  The abstract, once the website is synced, will be viewable
at http://www.nmr-relax.com/conferences/edward_enc2009_abstract.pdf
(they don't print a book, so this won't be seen be too many people!).
Note that in the poster I'll mention the work of all the relax
developers, and half the poster will be promoting relax (the other
half the integration with the BMRB).  So, I would like to ask who
would like to be on the poster author list (the official published
list has just my name as I was too slow to ask):

Eldon, for your help with getting relax to produce NMR-STAR dictionary
v3.1 files? (and for half the poster being about relax to BMRB
integration).

Chris, for all your large amounts of work throughout the relax codebase?

Gary, would you mind if I presented your MPI clustering work, i.e. the
scalability diagrams, etc. on the poster?  Would you like to also be
on the poster author list for all your work in relax?

Seb, for your contribution of the relaxation data consistency checking
(and the current relaxation dispersion work)?

Alphabetical ordering of authors would probably be best, e.g. "Edward
d'Auvergne, Chris MacRaild, Sébastien Morin, Gary Thompson, Eldon
Ulrich".  This poster could serve as a prelude to a short
communication about relax to BMRB integration.

Cheers,

Edward

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-- 
Sébastien Morin
PhD Student
S. Gagné NMR Laboratory
Université Laval & PROTEO
Québec, Canada




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