NOE script mode - viewing the results

Any two dimensional data set can be plotted in relax in conjunction with the program Grace. The program is also known as Xmgrace and was previously known as ACE/gr or Xmgr. The highly flexible relax user function grace.write is capable of producing 2D plots of any x-y data sets. The two commands

# Create Grace files.
grace.write(y_data_type='peak_intensity', file='intensities.agr', force=True)
grace.write(y_data_type='noe', file='noe.agr', force=True)

will create one plot of the peak intensity of the reference and saturated spectra as different graph sets in the same plot as well as one plot for the NOE and its error. The x-axis in all three defaults to the residue number. Returning to the sample script three Grace data files are created intensities.agr and noe.agr and placed in the default directory ./grace. These can be visualised by opening the file within Grace. However relax will do that for you with the commands

# View the Grace files.

An example of the output after modifying the axes is shown in figure 6.1.

The relax user manual (PDF), created 2020-08-26.