[Chimera-users] NMR average structure

sette at uniroma2.it sette at uniroma2.it
Mon Apr 11 11:47:27 PDT 2011

May be this can be useful



Def. Quota "Elaine Meng" <meng at 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/ensemblecluster.html>
> 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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Dr.Marco Sette, Ph.D.

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