Open main menu

Changes

Spin loop

476 bytes added, 13:56, 17 June 2013
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..."
== 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 ===
<source lang="python>
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))
</source>
== See also ==
[[Category:Results]]