Dear Edward,
once again, thank you for your reply. This time I´ll make sure the message
goes to the mailing list.
So, here it goes:
I am using the latest Relax version (3.1.10)
Below I send the relax info (also in attach):
relax 1.3.10
Molecular dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2011 the relax development team
This is free software which you are welcome to modify and redistribute under
the conditions of the
GNU General Public License (GPL). This program, including all modules, is
licensed under the GPL
and comes with absolutely no warranty. For details type 'GPL' within the
relax prompt.
Assistance in using the relax prompt and scripting interface can be accessed
by typing 'help' within
the prompt.
Hardware information:
Machine: i686
Processor: i686
System information:
System: Linux
Release: 2.6.38-8-generic
Version: #42-Ubuntu SMP Mon Apr 11 03:31:50 UTC 2011
GNU/Linux version: Ubuntu 11.04 natty
Distribution: Ubuntu 11.04 natty
Full platform string:
Linux-2.6.38-8-generic-i686-with-Ubuntu-11.04-natty
Software information:
Architecture: 32bit ELF
Python version: 2.7.1+
Python branch: tags/r271
Python build: r271:86832, Apr 11 2011 18:05:24
Python compiler: GCC 4.5.2
Python implementation: CPython
Python revision: 86832
Numpy version: 1.5.1
Libc version: glibc 2.4
Python packages (most are optional):
Package Installed Version Path
minfx True Unknown
/home/aldino/Software/relax-1.3.10/minfx
bmrblib False
numpy True 1.5.1
/usr/lib/pymodules/python2.7/numpy
ScientificPython True 2.8
/usr/lib/python2.7/dist-packages/Scientific
wxPython True
mpi4py False
epydoc False
optparse True 1.5.3
/usr/lib/python2.7/optparse.pyc
Numeric False
readline True
/usr/lib/python2.7/lib-dynload/readline.so
profile True
/usr/lib/python2.7/profile.pyc
bz2 True
/usr/lib/python2.7/lib-dynload/bz2.so
gzip True
/usr/lib/python2.7/gzip.pyc
os.devnull True
/usr/lib/python2.7/os.pyc
Compiled relax C modules:
Relaxation curve fitting: True
In the mean wile I will try to submit a bug report for this.
Thanks,
Aldino
-----Mensagem Original-----
From: Edward d'Auvergne
Sent: Wednesday, June 22, 2011 3:35 PM
To: Aldino
Cc: relax-users@xxxxxxx
Subject: Re: R1 and R2 calculation error
Dear Aldino,
Welcome to the relax mailing lists. The problem you are seeing could
possibly be related to an older version of relax. Which version are
you using? Could you copy and paste the output of:
$ relax --info
If you are using version 1.3.9 or earlier, I would recommend trying
out 1.3.10 and see if the problem is solved. If you are using version
1.3.10, you have encountered a new bug. If so, would you be able to
submit a bug report for this? See
https://gna.org/bugs/?func=additem&group=relax. I would recommend
including a minimal data set (only data for one or two spins,
randomised if you would like to keep it private) and instructions for
how to trigger the bug.
Cheers,
Edward
On 21 June 2011 18:05, Aldino <aldinoviegas@xxxxxxxxxxxxx> wrote:
Hi!
I have just started using RelaxGUI and I’m having some problems when
trying
to calculate R1 and R2.
For the steady-state NOE everything is alright but when I start the R1
calculation I get:
“Starting R1 calculation
Unhandled exception in thread started by <bound method
Auto_r1.execute_thread of <gui.analyses.auto_r1.Auto_r1 instance at
0xa47556c>>”
The same thing when trying to calculate R2...
“Starting R2 calculation
Unhandled exception in thread started by <bound method
Auto_r2.execute_thread of <gui.analyses.auto_r2.Auto_r2 instance at
0xa46f4cc>>”
Please help...
Thanks,
Aldino
______________________________________________
Aldino Viegas, PhD Student
Dep. Química, REQUIMTE
Faculdade de Ciências e Tecnologia
Universidade Nova de Lisboa
2829-516 Caparica, Portugal
Tlf. +351 212948300
Ext. 10900 Lab. 106-A
aldinoviegas@xxxxxxxxxxxxx
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aldino@aldino-VirtualBox:~$ relax --info
relax 1.3.10
Molecular dynamics by NMR data analysis
Copyright (C) 2001-2006 Edward d'Auvergne
Copyright (C) 2006-2011 the relax development team
This is free software which you are welcome to modify and redistribute under
the conditions of the
GNU General Public License (GPL). This program, including all modules, is
licensed under the GPL
and comes with absolutely no warranty. For details type 'GPL' within the
relax prompt.
Assistance in using the relax prompt and scripting interface can be accessed
by typing 'help' within
the prompt.
Hardware information:
Machine: i686
Processor: i686
System information:
System: Linux
Release: 2.6.38-8-generic
Version: #42-Ubuntu SMP Mon Apr 11 03:31:50 UTC 2011
GNU/Linux version: Ubuntu 11.04 natty
Distribution: Ubuntu 11.04 natty
Full platform string:
Linux-2.6.38-8-generic-i686-with-Ubuntu-11.04-natty
Software information:
Architecture: 32bit ELF
Python version: 2.7.1+
Python branch: tags/r271
Python build: r271:86832, Apr 11 2011 18:05:24
Python compiler: GCC 4.5.2
Python implementation: CPython
Python revision: 86832
Numpy version: 1.5.1
Libc version: glibc 2.4
Python packages (most are optional):
Package Installed Version Path
minfx True Unknown
/home/aldino/Software/relax-1.3.10/minfx
bmrblib False
numpy True 1.5.1
/usr/lib/pymodules/python2.7/numpy
ScientificPython True 2.8
/usr/lib/python2.7/dist-packages/Scientific
wxPython True
mpi4py False
epydoc False
optparse True 1.5.3
/usr/lib/python2.7/optparse.pyc
Numeric False
readline True
/usr/lib/python2.7/lib-dynload/readline.so
profile True
/usr/lib/python2.7/profile.pyc
bz2 True
/usr/lib/python2.7/lib-dynload/bz2.so
gzip True
/usr/lib/python2.7/gzip.pyc
os.devnull True
/usr/lib/python2.7/os.pyc
Compiled relax C modules:
Relaxation curve fitting: True
Re: R1 and R2 calculation error