Re: input data: nmrpipe/nlinls -- July 20, 2009 - 15:57

Hi Edward,

I'll give it a try.  It doesn't seem like it should be too hard.  I  
planned on calling the function intensity_nlinls() -- the peak list is  
from the NMRPipe suite, but the peak list reading procedure will be  
specific for the nlinLS-type peak list (different vs. a normal NMRDraw/ 
NMRPipe peak list).

I will need help on how to submit changes, etc. using svn.

Doug


On Jul 20, 2009, at 7:05 AM, Edward d'Auvergne wrote:

> Hi,
>
> Thanks to the work of Sebastian Morin, the reading of nmrView peak
> lists has been added.  However peak lists from nmrDraw is not yet
> supported.  CCPN might be able to convert this to XEasy, Sparky, or
> nmrView format.  I will also be adding support for a generic formatted
> file (where all data is in columns), so maybe this will help.  All the
> new code is available in the 1.3 line which you can check out from the
> repository.  This procedure is described at
> https://mail.gna.org/public/relax-users/2009-02/msg00020.html.
>
> As for directly supporting this format, at the moment I have too much
> on my plate to add this support.  But I would be interested in adding
> this, so submitting a support request
> (https://gna.org/support/?func=additem&group=relax) with example peak
> list files attached would be very useful for implementation. The more
> information given, the better.  You can also try yourself, if you
> like, by modifying the generic_fns/spectrum.py in the most up to date
> 1.3 line code (typing 'svn up' keeps it up to date).  It just needs a
> function called intensity_nmrdraw() added (or intensity_nmrpipe())
> which does all the work of reading the data out of the file.  The
> following can be used as examples to mimic:  intensity_generic();
> intensity_nmrview(); intensity_sparky(); intensity_xeasy().  If you
> would like to give it a try (it really doesn't matter what happens),
> then questions and the basic design can be discussed on the
> relax-devel mailing list.
>
> Regards,
>
> Edward
>
>
>
> On Sat, Jul 18, 2009 at 3:57 PM, Douglas
> Kojetin<douglas.kojetin@xxxxxxxxx> wrote:
> > Hi All,
> >
> > Does relax accept input data from nmrpipe peak lists and, more
> > specifically, using the nlinls example provided with the nmrpipe
> > package?  If not, are there a set of scripts or procedures someone  
> > can
> > point me to that imports xeasy or nmrview data, so I can copy-and-
> > modify these accordingly for nmrpipe/nlinls (which I could contribute
> > to the relax package)?
> >
> > Thanks,
> >
> > Doug
> >
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