J(w) mapping script mode - data pipe and spin system setup

The steps for setting up relax and the data model concept are described in full detail in Chapter 4. The first step, as for all analyses in relax, is to create a data pipe for storing all the data:

# Create the data pipe.
pipe.create(pipe_name='my_protein', pipe_type='jw')

Then, in this example, the 15N spins are created from one of the NOE relaxation data files (Chapter 6):

# Set up the 15N spins.
sequence.read(file='noe.600.out', res_num_col=1, res_name_col=2)
spin.isotope(isotope='15N', spin_id='@N')

Skipping the relaxation data loading, the next part of the analysis is to create protons attached to the nitrogens for the magnetic dipole-dipole relaxation interaction:

# Generate 1H spins for the magnetic dipole-dipole relaxation interaction.

This is needed to define the magnetic dipole-dipole interaction which governs relaxation.

The relax user manual (PDF), created 2024-06-08.