Re: NOE analysis issue -- January 30, 2014 - 17:02

Hi Dhanas,

The problem you are seeing is actually because of the relax warnings
starting at:

RelaxWarning: The spin '#2AT7_fmf_mol1:3@N' has been deselected
because of insufficient data.

> From looking at the other messages, I am unsure as to why this is not
working.  To help solve this problem would you be able to submit a bug
report (https://gna.org/bugs/?func=additem&group=relax)?  Cheers!  If
you could attach to that bug report all of the input files as well as
a description of all steps you took to produce the error, that would
be appreciated (you can truncate the files and maybe randomise the
heights if you would like keep the data private for now).  It would
also be good if you could attach a file with the entire contents of
the relax controller window.  If I am able to use your data and
reproduce the bug, then I should be able to fix this problem within a
few minutes.

Cheers,

Edward


P. S.  Note that for a public mailing list, it is best not to attach
any files.  The relax bug, task, and support request trackers are
where files should be uploaded.




On 29 January 2014 21:55, Dhanasekaran Muthu <dhanas@xxxxxxxxxxxxxxxxx> wrote:
> Hi,
>
> I am using Relax Ver 3.1.3 on Mac OS. It worked beautifully to calculate 
> the R1 and R2 values using replicated spectra to get the error. But it 
> fails to calculate NOE if I use replicated spectra for error. It produces 
> empty NOE.out file.  However it works fine if I just use only one set of 
> data(saturated and reference) and baseplane RMSD for error calculation.
>
> Please let me know if any of you faced this problem and how you solved this 
> issue.
>
> Thanks,
>
> Dhanas
>
>
> Here is the log copied from the controller: (the detailed one is attached 
> in this E-mail)
>
> relax> value.write(param='noe', file='noe.600.out', 
> dir='/Users/Dhanas/Desktop/relax.app/Contents/Resources', scaling=1.0, 
> comment=None, bc=False, force=True)
> Opening the file 
> '/Users/Dhanas/Desktop/relax.app/Contents/Resources/noe.600.out' for 
> writing.
>
> relax> results.write(file='results', 
> dir='/Users/Dhanas/Desktop/relax.app/Contents/Resources', compress_type=1, 
> force=True)
> Opening the file 
> '/Users/Dhanas/Desktop/relax.app/Contents/Resources/results.bz2' for 
> writing.
>
> relax> grace.write(x_data_type='res_num', y_data_type='ref', spin_id=None, 
> plot_data='value', file='ref.agr', 
> dir='/Users/Dhanas/Desktop/relax.app/Contents/Resources/grace', force=True, 
> norm=False)
> Opening the file 
> '/Users/Dhanas/Desktop/relax.app/Contents/Resources/grace/ref.agr' for 
> writing.
> RelaxWarning: No data could be found, creating an empty file.
>
> relax> grace.write(x_data_type='res_num', y_data_type='sat', spin_id=None, 
> plot_data='value', file='sat.agr', 
> dir='/Users/Dhanas/Desktop/relax.app/Contents/Resources/grace', force=True, 
> norm=False)
> Opening the file 
> '/Users/Dhanas/Desktop/relax.app/Contents/Resources/grace/sat.agr' for 
> writing.
> RelaxWarning: No data could be found, creating an empty file.
>
> relax> grace.write(x_data_type='res_num', y_data_type='noe', spin_id=None, 
> plot_data='value', file='noe.agr', 
> dir='/Users/Dhanas/Desktop/relax.app/Contents/Resources/grace', force=True, 
> norm=False)
> Opening the file 
> '/Users/Dhanas/Desktop/relax.app/Contents/Resources/grace/noe.agr' for 
> writing.
> RelaxWarning: No data could be found, creating an empty file.
>
> _______________________________________________
> relax (http://www.nmr-relax.com)
>
> This is the relax-users mailing list
> relax-users@xxxxxxx
>
> To unsubscribe from this list, get a password
> reminder, or change your subscription options,
> visit the list information page at
> https://mail.gna.org/listinfo/relax-users