May be this can be useful http://structbio.vanderbilt.edu/~jsmith/suppose/ Marco Def. Quota "Elaine Meng" <meng@cgl.ucsf.edu>:
Hi Lucio, Sorry, Chimera doesn't calculate an average structure from an ensemble. However, "Ensemble Cluster" (in the menu under Tools... MD/Ensemble Analysis) will give clusters, and for each cluster, the best representative. That's not exactly what you asked for (the one best representative), but may be worth a look:
<http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/ensemblecluster/ens...>
This tool is also used in the "Model Panel and Ensembles" tutorial: <http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/ensembletut.html>
I hope this helps, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
On Apr 9, 2011, at 9:00 AM, Lucio Ferella wrote:
Hi all, I need to calculate an average structure (or select the most representative member of), from an NMR emsemble structures in Chimera. Is it possible? Thanks for any helps. Lucio
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