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