mailRe: I did not used relax to get r1,r2,noe


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Posted by Edward d'Auvergne on November 27, 2012 - 09:42:
Hi Kozo,

Again I'll answer below:


I use my results and format them either as .out or .txt and using GUI i
import them into relax and use free format to tell relax where data and
error columns are.

These should be text files, the file ending does not matter for relax.


in dauvergene protocol, i also change things like pdb,
frequency e.g. in your original script, you have 500 and 600MHz but i have
500 and 700MHz so i simply use my exact SF01 values and either .out or .txt
data files.

This is what should be done.


If i run model free with my  data but using dauvergne protocol without these
modifications, relax dont run.

Of course, this behaviour is expected.


i can run either on command line or GUI without problems but not sure of
final output. In modelfree4 mfout is easy to get and extract necessary
results but i have to learn this good new software "relax" also.

You will find that the dauvergne_protocol.py script or the GUI (which
uses the same protocol code in relax) will place a large number of
files in the 'final' directory (see the model-free chapter of the user
manual http://www.nmr-relax.com/manual/Model_free_analysis.html).  The
RelaxFault you previously described will prevent relax from creating
all these files.  Therefore with a bug report
(https://gna.org/bugs/?func=additem&group=relax), I might be able to
help you find what is causing the RelaxFault which prevents the
protocol from completing.


PS, how can i convert my data with relax to .out files? i simply use my
editor to convert the extension from txt to out as simple as that since Mac
has this capability.

The file endings do not matter to relax.  These are all text files and
you can see this by opening them in any text editor.  If you wish, you
can even have "*.kozo" file endings for your text files and relax will
still read them perfectly ;)

Regards,

Edward



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