Re: [bug #7544] Incorrect nucleus names in results -- October 30, 2006 - 17:45

This problem is pretty simple.  When creating the results file, I made
the assumption of one data set per residue and that each data set
belonged to the same nucleus (obviously an incorrect assumption).  The
fix would require a few small changes to the
'specific_fns/model_free.py' file within the function
'self.write_columnar_results()'.  The complementary 'self.read_xxxxxx'
functions will need to be updated as well.

Alex, would you like to have a go at implementing this feature?  This
one isn't very difficult and playing with these functions should give
you a good idea of what you'll need to implement to write out your CSA
data or settings and then read it back in again.  Modifications can be
made to the 1.3 line without problem.  As no one else is touching this
part of the file, 'svn up' will merge (printing the symbol 'G') if
changes occur to the file.  If you would prefer not to give this a go,
I can work on it a bit later.

Edward



On 10/28/06, Alex Hansen <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
> URL:
>   <http://gna.org/bugs/?7544>
>
>                  Summary: Incorrect nucleus names in results
>                  Project: relax
>             Submitted by: viochemist
>             Submitted on: Friday 10/27/2006 at 12:35
>                 Category: relax's source code
>                 Priority: 5 - Normal
>                 Severity: 2 - Minor
>                   Status: None
>                  Privacy: Public
>              Assigned to: None
>          Originator Name:
>         Originator Email:
>              Open/Closed: Open
>                  Release: Repository: 1.3 line
>         Operating System: All systems
>
>     _______________________________________________________
>
> Details:
>
> I have a set of 8 data for RNA, 6 Guanines and 2 Uridines.  I have set up the
> full_analysis script to recognize that the Guanines are N1-H1 nuclei and
> Uridines are N3-H3 nuclei.  However, in results.bz2 for all of the models,
> they are listed as N3-H3.  It obviously finds the correct nucleus for
> analysis (otherwise I would have to imagine relax would crash when it
> couldn't find N3-H3 in the Guanine residues) but simply prints out the wrong
> one in results.
>
>
>
>
>
>
>     _______________________________________________________
>
> Reply to this item at:
>
>   <http://gna.org/bugs/?7544>
>
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