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Let us select residues based on a criterion where the highest number of residues have been fitted to the same model.
Open the '''final_state.bz2''' in relax. <br>
Open the relax prompt with '''Ctrl+p''' if you are in the GUI.<br>
Tip: You can copy the lines, and in the relax prompt, select "Paste Plus".
</source>
We see that '''NS 2-site expandedCR72''' is most represented. <br>
We make a list to cluster these residues, and write them to a file '''cluster_residues.txt'''.
<source lang="python">
model_crit = 'NS 2-site expandedCR72'
sel_residues = []
for spin, spin_id in spin_loop(return_id=True, skip_desel=True):
if spin.model == model_crit:
sel_residues.append( [spin._res_num, spin._res_namespin_id, spin.model, spin.num ])
f = open('cluster_residues.txt', 'w')