Re: [task #6438] To relax the BMRB. -- August 12, 2011 - 18:46

Hi,

I'm looking at this now.  I'm guessing you saw the release of relax
1.3.11 with the BMRB-relax integration.  I'm still working on the GUI
to get it up to a stage where the writing of the NMR-STAR files can
happen in the GUI, and then I'll be finishing off the paper.

Some quick points though, the entry 16485 with the deleted entity
section was because the relaxation data sequence information did not
match the contents of the entity saveframe.  Also, 6060 has a
_T2_coherence_type changed to Nz whereas it should be as it was before
with Nx.

Cheers,

Edward



On 12 August 2011 16:45, Eldon Ulrich <elu@xxxxxxxxxxxxx> wrote:
> Hi,
>
> I have completed a review and have edited the v2.1 files in the list below.
> The new files are available on the BMRB website except for 15014 which
> should be available tomorrow. Please check them out and let me know if there
> is more or if I did not do the edits properly. A few comments on the edits
> are given below. Not all suggested changes in the 'diff' file were
> appropriate and I have tried to note this below.
>
> On to the v3.1 entries and entry 6838. Hopefully completed by the end of
> next week. I did notice in the v3.1 diff that for entry 16485, the
> indication is to remove the entity save frames. I believe this may be a
> glitch in the parsing of the v3.1 BMRB entry.
>
> Thank you for all of the help,
> Eldon
>
> On 5/31/11 8:32 AM, Edward d'Auvergne wrote:
> > Hi Eldon,
> >
> > I have just checked the changes to the v2.1 and v3.1 BMRB model-free
> > and relaxation entries (I've only used the v2.1 files if the v3.1 ones
> > are missing).  The v2.1 files that still need changing are:
> >
> > bmr4096.str
> > bmr4245.str
> > bmr4390.str
> > bmr4870.str
> > bmr4970.str
> > bmr5272.str
> > bmr5505.str
> > bmr5569.str
> > bmr5762.str
> > bmr5991.str
> > bmr6060.str
> > bmr6092.str
>
> bmr6332.str  The sequence errors were in the relaxation data tables and not
> in the entity.
>
> > bmr6466.str
>
> bmr6470.str  Earlier the _Tau_e_value_units tag was asked to be inserted and
> now it is being asked to be removed. Is there something missing in the diff
> file?
>             The entry was not changed, at this time.
>
> > bmr6494.str
> > bmr6495.str
> > bmr6899.str
> > bmr7021.str
> > bmr7036.str
> > bmr7415.str
>
> bmr15014.str  Somehow the T2 data was copied into the T1 data table. The
> actual T1 data was found
>                and entered into the entry.
> > The v3.1 files which need fixes are:
> >
> > bmr6474.str
> > bmr15097.str
> > bmr15923.str
> > bmr15975.str
> > bmr16234.str
> > bmr16485.str
> > bmr16657.str
> > bmr16659.str
> > bmr17047.str
> > bmr17266.str
> >
> > The changes are small, but there are still quite a few to go.
> >
> > Cheers,
> >
> > Edward
> >
> >
> >
> > On 31 May 2011 15:18, Edward d  Auvergne
> > <NO-REPLY.INVALID-ADDRESS@xxxxxxx>  wrote:
> > > Follow-up Comment #12, task #6438 (project relax):
> > >
> > > The following diff is for the v2.1 model-free and relaxation entries
> > > (those
> > > missing v3.1 entries).  The changes are essential.
> > >
> > > (file #13068)
> > >    _______________________________________________________
> > >
> > > Additional Item Attachment:
> > >
> > > File name: diff                           Size:149 KB
> > >
> > >
> > >    _______________________________________________________
> > >
> > > Reply to this item at:
> > >
> > >  <http://gna.org/task/?6438>
> > >
> > > _______________________________________________
> > >  Message sent via/by Gna!
> > >  http://gna.org/
> > >
> > >
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