[Chimera-users] Creating a single pdb file from multiple pdb files

Elaine Meng meng at cgl.ucsf.edu
Tue Jan 24 08:50:23 PST 2012

Hi Steven,
Sorry, currently there is nothing in Chimera to calculate average structures.  Chimera's "Ensemble Cluster" tool will identify clusters and representative structures from ensembles (where each structure has the same atoms, just different coordinates), but it doesn't calculate averaages.

I was looking at the chimera-users list archive on this topic and saw that somebody had recommended the following:


I haven't tried it, however.  Best,
Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco

On Jan 24, 2012, at 3:27 AM, Steven Bottomley wrote:

> Hi 
> It is possible to create a single (preferably weighted) protein structure (pdb file) from two or more related protein structures (pdb files)? I guess that this would be something like creating a single (weighted average) of NMR ensemble structures but using any chosen pdb file. Thanks for any help!
> Regards
> Steven

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