Difference between revisions of "Spin loop"
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(Created page with "== View results per spin == # Looking at the contents of the '''spin viewer''' window in the GUI, # Opening a relax results or state XML file in a text editor, # Looking at th...") |
(No difference)
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Revision as of 13:56, 17 June 2013
View results per spin
- Looking at the contents of the spin viewer window in the GUI,
- Opening a relax results or state XML file in a text editor,
- 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))
