[Chimera-users] Ensemble cluster
Damien Larivière
damien.lariviere at fourmentinguilbert.org
Wed Jun 19 07:12:49 PDT 2013
Dear All,
As a preamble, it is quite possible that I completely misunderstood the
way to use the Ensemble cluster tool.
Here is the problem I face:
I opened a PDB file containing 8 models. The models have the same number
of atoms, the same numbering, the format is Model Endmdl, etc.
I launched Ensemble cluster in order to identify clusters. From the
image below, one can see visually 2 clusters. Chimera effectively
identifies 2 clusters _but _the representatives of each (in red and
blue-turquoise) belongs to the same cluster. I expected one
representative in each of the two clusters.
May you tell me what is wrong with my understanding?
Many thanks for your help,
Damien
ps : Is there a way to cluster according to a previously chosen RMSD?
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