RE: error message of relax -- June 24, 2013 - 22:00

Thank you!

Xi From: Edward d'Auvergne
Sent: 6/24/2013 3:24 PM
To: Xi Huang
Cc: relax-users@xxxxxxx
Subject: Re: error message of relax
Hi Xi,

The problem you see was fixed in relax a long, long time ago.  The
version you are using is about 2.5 years old, so I would highly
recommend upgrading to the most recent release of relax 2.2.5
(http://www.nmr-relax.com/download.html).  There have been innumerable
changes, fixes, and improvements to the relax GUI since the old 1.3
days.  All this code has been rewritten close to two times since
Michael Bieri's original GUI version.  The code that triggered the bug
no longer exists.  I hope this helps.

Regards,

Edward


On 24 June 2013 21:02, Xi Huang <huangxi987412@xxxxxxxxx> wrote:
> Hi,
>
> The relax has an error message after finish the final global calculation
> when writing result files. I have the results.bzfile but it can't output the
> result values. What should I do or is there any script I can run to extract
> order parameters from the results.bz file? Thanks
>
> Below is the error message
>
>
>
>
>
> Successfully calculated the final global model.
> _______________________________________________
>
> Creating results files
>
>
> relax> pipe.create(pipe_name='Data_extraction Mon Jun 24 08:55:23 2013',
> pipe_type='mf')
>
> relax>
> results.read(file='/home/fanucci/Desktop/R/A71V/new-06212013/final/results',
> dir=None)
> Opening the file
> '/home/fanucci/Desktop/R/A71V/new-06212013/final/results.bz2' for reading.
> Unhandled exception in thread started by
> Traceback (most recent call last):
>   File "/usr/local/relax-1.3.10/gui/analyses/auto_model_free.py", line 1028,
> in execute_thread
>     results_analysis = model_free_results(self, data.save_dir,
> data.structure_file)
>   File "/usr/local/relax-1.3.10/gui/analyses/results_analysis.py", line 158,
> in model_free_results
>     rex_eff = float(spin.rex) * (int(spin.frq_labels[1]) * 1000000 * 2 *
> 3.14159)**2
> IndexError: list index out of range
>
>
> On Mon, Jun 24, 2013 at 2:57 PM, Edward d'Auvergne <edward@xxxxxxxxxxxxx>
> wrote:
> > Hi Xi Huang,
> >
> > Sorry in advance, but the following is the standard pre-composed
> > response to a post not sent to the relax mailing lists and not
> > labelled as private.  If you would like to start a private
> > conversation about relax, please label your message as such.  If you
> > really must start a private exchange, please respond to this message
> > saying so.  If your message was meant to be sent to the relax mailing
> > list, please send the message again.  For this, please copy-and-paste
> > your message, replying to the original (i.e. no forwarding), and
> > making sure that the mailing list is in the CC field by clicking on
> > 'reply-to-all'.
> >
> > Cheers,
> >
> > Edward
> >
> >
> >
> > On 24 June 2013 20:04, Xi Huang <huangxi987412@xxxxxxxxx> wrote:
> > > Hi Edward,
> > >
> > > The relax has an error message after finish the final global calculation
> > > when writing result files. I have the results.bz file but it can't
> > > output
> > > the result values. What should I do or is there any script I can run to
> > > extract order parameters from the results.bz file? Thanks
> > >
> > > Below if the error message
> > >
> > >
> > >
> > >
> > > Successfully calculated the final global model.
> > > _______________________________________________
> > >
> > > Creating results files
> > >
> > >
> > > relax> pipe.create(pipe_name='Data_extraction Mon Jun 24 08:55:23 2013',
> > > pipe_type='mf')
> > >
> > > relax>
> > >
> > > results.read(file='/home/fanucci/Desktop/R/A71V/new-06212013/final/results',
> > > dir=None)
> > > Opening the file
> > > '/home/fanucci/Desktop/R/A71V/new-06212013/final/results.bz2' for
> > > reading.
> > > Unhandled exception in thread started by
> > > Traceback (most recent call last):
> > >   File "/usr/local/relax-1.3.10/gui/analyses/auto_model_free.py", line
> > > 1028,
> > > in execute_thread
> > >     results_analysis = model_free_results(self, data.save_dir,
> > > data.structure_file)
> > >   File "/usr/local/relax-1.3.10/gui/analyses/results_analysis.py", line
> > > 158,
> > > in model_free_results
> > >     rex_eff = float(spin.rex) * (int(spin.frq_labels[1]) * 1000000 * 2 *
> > > 3.14159)**2
> > > IndexError: list index out of range
> > >
> > >
> > >
> > >
> > >
> > > --
> > > Xi Huang
> > > PhD Candidate, Division of Physical Chemistry
> > > Gail E. Fanucci Research Group
> > > Department of Chemistry
> > > University of Florida
>
>
>
>
> --
> Xi Huang
> PhD Candidate, Division of Physical Chemistry
> Gail E. Fanucci Research Group
> Department of Chemistry
> University of Florida