Spin loop

View results per spin

1. Looking at the contents of the spin viewer window in the GUI,
2. Opening a relax results or state XML file in a text editor,
3. Looking at the cdp.mol[i].res[j].spin[k] data structure.

Looping

from pipe_control.mol_res_spin import spin_loop
for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
    print("Spin '%s', model '%s'" % (spin_id, spin.model))

# To see available information in the spin class
dir(spin)