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.
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