mailRe: GUI for relax


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Posted by Edward d'Auvergne on November 12, 2009 - 10:51:
Hi,

I have all the data on my laptop and was going to use it in the
debugging process of tightly integrating the GUI into relax.  I was
also going to test it on my synthetic model-free test cases, and on
the full olfactory marker protein (OMP) data of Gitti et al, 2005
which is the perfect test case for where standard model-free
methodology fails.  Therefore, if you like, I can send you the results
after all the testing passes - possibly of the OMP results as well.
These systems can only work if the concept of the solution in the
universal set [universal solution, see d'Auvergne E. J., Gooley P. R.
(2007). Set theory formulation of the model-free problem and the
diffusion seeded model-free paradigm. Mol. Biosyst., 3(7), 483-494.]
is sought after, i.e. as the full_analysis.py script does.

Regards,

Edward


2009/11/12 Michael Bieri <michael.bieri@xxxxxx>:
Hi Edward

Thank you, I will register there.

another question. As suggested to reanalyze the Bacteriorhodopsin data.
I think this wouldn't be too bad and might increase the article. where
can I get the data from?

Cheers
Michael



Edward d'Auvergne schrieb:
Oh right, I didn't notice that!  To do this you need to sign up for an
Gna! account.  This is part of the process of becoming a relax
developer and should be documented, step-by-step, in the development
chapter of the relax manual (which I don't have on hand right now).

Cheers,

Edward



2009/11/12 Michael Bieri <michael.bieri@xxxxxx>:

Hi Edward

I have a stupid question:

How can I upload the relaxGUI files to the task you created?

Cheers
Michael


Edward d'Auvergne schrieb:

Hi,

I have set up task #6847 (https://gna.org/task/index.php?6847) for
attaching source code and other files relating to this GUI interface.

Regards,

Edward


2009/11/11 Michael Bieri <michael.bieri@xxxxxx>:


Hi

I wrote a graphical user interface for relax and Edward suggested to
discuss
this in here. Attached are screen shots of the program.

It is designed to enable simple model-free analysis by drag-and-drop or
browsing of the peak files. It works with up to three different magnetic
fields. Results generated by relaxGUI are listed in a separate tab and
can
be observed. Furthermore, relaxGUI gives a feedback if the relax run was
successful or not. Model-free calculation can be executed either active
or
in the background.

The program actually creates and runs scripts in relax. I tested it on
Ubuntu 9.10 using relax 1.3.4. The program is written in python and uses
wx.Python for the GUI.

As told by Edward, the program will be uploaded as a task.

Cheers
Michael



--
Michael Bieri, PhD
Department of Biochemistry and Molecular Biology
Bio21 Molecular Science and Biotechnology Institute
The University of Melbourne, 30 Flemington Road
Parkville, Victoria 3010, Australia

Tel.: +61 3 8334 2256

http://www.biochemistry.unimelb.edu.au

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