Hi,
I am using GUI for autoanalyses and no need to change anything except my
input data.
You should never need to change your input data for the GUI!
I cannot create log file if i start with this command "./relax -g --log log
"
relax GUI just opens and i input necessary data.
You said that in MS Windows, this creates a file called 'log'. But
not on Mac OS X. For the Mac, there are three different ways of
installing relax. It is essential to tell me which one you used. Did
you use the Mac OS X application *.dmg file, Fink, or did you use the
source releases?
From the lack of information, I will guess the following:
- You extracted the relax app from the dmg file onto your desktop.
- You opened a terminal and went into the app directory.
- You found the 'relax' binary file within the app directory.
- Then you ran "./relax -g --log log".
Assuming this is what you did, then the problem is that this relax
binary file is a special binary file that is created for the Mac
Application Framework. It is not the normal 'relax' file used to
launch relax. The normal 'relax' file is a text file which looks
like:
-----
#! /usr/bin/env python
# Import the relax module.
import relax
# Start relax.
relax.start()
-----
When opening in a text editor, you will see that the Mac application
'relax' file is actually a binary file. You cannot currently turn on
logging within the Mac OS X application, but you can if you use Fink
or the sources release.
In this case i get the message as i sent with heading "relax finished with
this message"
If i start Script, i cannot finish the relax because of this error
"relax> spin.isotope(isotope='15N', spin_id='@N*', force=False)
relax> spin.isotope(isotope='1H', spin_id='@H*', force=False)
relax> relax_data.read(ri_id='R1_600', ri_type='R1', frq=600030000.0,
file='r1.600.txt', dir=None, spin_id_col=None, mol_name_col=None,
res_num_col=1, res_name_col=2, spin_num_col=None, spin_name_col=None,
data_col=3, error_col=4, sep=None, spin_id=None)
Opening the file 'r1.600.txt' for reading.
RelaxError: The spin ID ':1' corresponds to more than a single spin in the
current data pipe."
This is a very different problem. The issue is that you have two
spins loaded into relax for residue 1 (':1'). These are the proton
and nitrogen backbone spins (':1@H' and ':1@N'). When you are loading
the data from the 'r1.600.txt' file, there is one line for residue 1.
But relax does not know if the data is for the nitrogen or for the
proton. I could tell you the answer, but it might be better if you
learn yourself. I would recommend you read the relax data model
chapter of the manual
(http://www.nmr-relax.com/manual/relax_data_model.html), as well as
the documentation for the relax_data.read user function
(http://www.nmr-relax.com/manual/relax_data_read.html). If you still
cannot work out what to do after reading these, I can tell you what
you need to change. Note that there are 3 different ways to solve
this problem in relax, and all are equally valid.
Regards,
Edward
P. S. I would highly recommend you try fitting your R1 and R2
relaxation rates and calculating the steady-state NOE and error using
relax and comparing these to what you obtain from NMRDraw. If the
errors are not the same from both programs, then note that using
incorrect errors for a model-free analysis is likely to be fatal. I
would also recommend you read the section of the manual about
temperature control and calibration at
http://www.nmr-relax.com/manual/Temperature_control_calibration.html.
Re: GUI and Script