Hi Ed,
Thank you very much for this !
I tested both the short test case (as attached to the bug report) and
Pierre-Yves's full dataset. It now works perfectly.
Thanks again !
Séb :)
Edward d'Auvergne wrote:
Hi,
I've seen this problem before and thought I fixed by checking if the
spin is selected and if Rex is a parameter of the model (in which case
'spin.frq[0]' must exist). Having a look at the save file
'state1.save.bz2' that was attached to this report, the problem
appears to have originated earlier. The residues Arg 6 and Lys 9 are
the problems. These spins are both selected, yet do not contain any
relaxation data related info (all entries between the 'num_frq' to
'relax_error' tags, including 'frq'). They should have been
deselected. I have now added a function to perform this spin
deselection identical to the one used when relax performs model-free
analysis. Would you be able to test this again, starting from the
creation of the Modelfree4 input files?
Cheers,
Edward
2009/10/5 Sébastien Morin <NO-REPLY.INVALID-ADDRESS@xxxxxxx>:
Update of bug #14428 (project relax):
Status: None => Confirmed
_______________________________________________________
Follow-up Comment #1:
The problem happens for both models 'm3' (as stated by Pierre-Yves) and
'm4'.
In both cases, the problem is related to line 692 of the file
'generic_fns/palmer.py':
spin.rex = spin.rex / (2.0 * pi * spin.frq[0])**2
The frequency parameter 'spin.frq[0]' seems to create this problem.
[Please find attached tar file to reproduce the problem. This tar file
contains a directory in which stage 1 has been performed for model 'm3' on
the small dataset. The script 'palmer.py' is ready to be used to perform
stage 2 and will fail with the error message originally posted by
Pierre-Yves, complaining about line 692 of 'generic_fns/palmer.py'.]
(file #6888)
_______________________________________________________
Additional Item Attachment:
File name: relax_bug_14428.tar Size:40 KB
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?14428>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-devel mailing list
relax-devel@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
--
Sébastien Morin
PhD Student
S. Gagné NMR Laboratory
Université Laval & PROTEO
Québec, Canada
Re: [bug #14428] palmer.py problem wihen spins have no data