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Now add Instead of using the GUI to inspect the spins, we can use the command Add the following line to "sam_script.py".
==== Check the spin containers via script ====
<source lang="python">
# Import
from pipe_control.mol_res_spin import spin_loop
# Loop and printfor spin, mol_name, res_num, res_name, spin_id in spin_loop(full_info=True, return_id=True, skip_desel=True): print("%20s %20s" % (repr(spin, mol_name, res_num, res_name, spin_id), spin.model))
</source>
<source lang="bash">
relax sam_script.py
</source>
That gives some output in the command as this.
<source lang="text">
Objects:
element: 'H'
isotope: '1H'
name: 'H'
num: 2204
pos: array([-26.478999999999999, -4.86 , 6.999 ])
select: True
hRGS7 139 GLY #hRGS7:139@H
</source>
This looks good.
==== Load the relaxation data ====
Now comes the time to load the relaxation data.
In the sample script, we see that we should use the command "relax_data.read".
Since we do not know what that is, we use the help command.
So we open relax in the prompt, and use the help command.
<source lang="bash">
relax
# Relax start
help(relax_data.read)
exit
</source>
