Re: [bug #20133] Bug 2 -- September 04, 2012

Dear Mengjun,

I have tested the loading of the Bruker Dynamics Centre NOE test file
as you suggest in your bug report (http://gna.org/bugs/?20132).  The
error you see there is MS Windows specific - I cannot reproduce the
error on a GNU/Linux system.  However, on close investigation, I can
see that this error would now disappear thanks to my fix to your other
bug report (http://gna.org/bugs/?20133).  That bug actually triggers
this bug!  So without bug #20133, bug #20132 should never occur.
Therefore I might close the bug report as being fixed (unless you wish
to use subversion to obtain the most up to date code and test if the
bug really has permanently disappeared).

The solution is to set up your spin systems first.  The new code will
simply tell you that this needs to be done via a RelaxError message.
As in my last email, see the relax data model chapter of the newest
copy of the user manual (http://download.gna.org/relax/manual/) for a
detailed description of how to do this.

Regards,

Edward



On 4 September 2012 17:29, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:

Dear Mengjun,

Thank you for the bug report (http://gna.org/bugs/?20133).  I have
changed your title to be more descriptive to the bug.  This message is
also public and is being sent to the relax-users mailing list.  If you
haven't joined this list (https://gna.org/mail/?group=relax), I would
highly recommend it as other relax users might be able to help you as
well, and without being subscribed to the list you might then miss
their replies to your messages.

This was quite an easy bug to fix, it was just a one line change
(http://article.gmane.org/gmane.science.nmr.relax.scm/15204).  There
are two ways to obtain this fix:

- Wait until relax version 2.1.1 is released (this is uncertain).
- Use the subversion program (http://subversion.apache.org/) to obtain
the most up to date copy of the relax source code from the repository
(https://gna.org/svn/?group=relax).

In this case however, I can say that with the newest version you will
simply then have a little RelaxError window appearing saying that your
sequence or spin system data is missing.  From the screenshots
attached to your other bug report
(https://gna.org/bugs/index.php?20132), I can see that the "Spin
systems" GUI element in the main model-free analysis tab says "0 spins
loaded and selected".  This is where the problem is.  You will need to
click on the "Spin editor" button to set up your spin systems.  I have
recently made some large changes to the relax user manual, especially
in regards to the use of the GUI.  I would recommend you look at the
newest copy of the manual that I have uploaded to
http://download.gna.org/relax/manual/ (currently r17448).  The relax
data model chapter is where you should start for setting up your spin
systems.  I hope this information helps.

Regards,

Edward



On 4 September 2012 16:22, anonymous <NO-REPLY.INVALID-ADDRESS@xxxxxxx> 
wrote:

URL:
  <http://gna.org/bugs/?20133>

                 Summary: Bug 2
                 Project: relax
            Submitted by: None
            Submitted on: Tue 04 Sep 2012 02:22:33 PM UTC
                Category: GUI
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: None
                 Privacy: Public
             Assigned to: None
         Originator Name:
        Originator Email: mengjun.xue@xxxxxxxxxxxxxxxxxxxx
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 2.1.0
        Operating System: None

    _______________________________________________________

Details:

operating system: windows7


version of Relax: 2.1.0


operation steps:


1. start Relax_gui_mode.py


2. click new analysis


3. click model-free analysis


4. click next


5. click start


6. click Add (bruker)


7.type 'noe_700' in the term of The relaxation data ID string


8. load the file 'NOE demo.txt'


9. click Next


to make it clear I also make some screenshots,


then the following errors come up:

 Copyright (C) 2006-2012 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.

Processor fabric:  Uni-processor.


relax> bruker.read(ri_id=None, file='C:\\Users\\Mengjun
Xue\\Desktop\\Discussion with Franzen\\tutorial_pdc\\NOE demo.txt', 
dir=None)
Traceback (most recent call last):
  File "C:\Users\Mengjun Xue\Desktop\desk120816\relax nmr
abc\relax-2.1.0.Win32\relax-2.1.0\gui\interpreter.py", line 299, in run
    apply(fn, args, kwds)
  File "C:\Users\Mengjun Xue\Desktop\desk120816\relax nmr
abc\relax-2.1.0.Win32\relax-2.1.0\generic_fns\bruker.py", line 99, in read
    raise RelaxNoSequenceError
NameError: global name 'RelaxNoSequenceError' is not defined






    _______________________________________________________

File Attachments:


-------------------------------------------------------
Date: Tue 04 Sep 2012 02:22:33 PM UTC  Name: NOE (demo ubiquitine).txt  
Size:
17kB   By: None

<http://gna.org/bugs/download.php?file_id=16474>

    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?20133>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/


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Re: [bug #20133] Bug 2

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