Re: To all relax developers: presenting relax at the ENC conference and preliminary BMRB NMR-STAR file creation for model-free results. -- March 10, 2009 - 18:06

On Tue, Mar 10, 2009 at 5:25 PM, Gary Thompson <garyt@xxxxxxxxxxxxxxx> wrote:
> 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?
>
> yep thats no problems, maybe it will force me to egt some work done;-)
>
> Also as a follow up Ed please do send copys of the paper and poster on an I
> can help to start things up and read the text if you are happy

Will do!  At the moment I'm still working on getting a semi-complete
BMRB file produced.  The infrastructure of the BMRB API structure is
in place, so this won't take long.  I could talk about this code
generally - i.e. relax runs on clusters, etc. - or maybe use some of
the details in your post at
https://mail.gna.org/public/relax-devel/2007-04/msg00048.html if you
wish.  If you would like me to present some of your numbers and
pictures from that post, would you have higher quality diagrams?  I
would assume that you will be using this information in a paper later
on, so maybe that would be a problem?

Cheers,

Edward