<source lang="python">
script(file='relax_4_cluster.py', dir=set_dir)
</source>
=== Make clustering of residues ===
Now we want to cluster the residues in the list '''sel_residues'''.<br>
It is fastest to do it in the relax prompt, since we have our selected list '''sel_residues''' from above:
<source lang="python">
for resi, resn, model, spini in sel_residues:
relax_disp.cluster('NS2_cluster', ":%s@N"%resi)
cdp.clustering
</source>
Or use in the GUI '''User functions (n->) -> relax_disp -> cluster'''.<br>
Set '''The cluster ID''' to '''NS2_cluster''' and '''The spin ID string''' to ''':5@N''' for nitrogen at residue number 5. <br>
Continue for the residues you want to cluster. Keep the same '''Cluster ID'''.
You can inspect which residues you have clustered in the prompt.
<source lang="python">
cdp.clustering
</source>