do you mean how to create a structure with min/max projection? there really
is no such thing as minimal or maximal projections along a PCA vector, the
amplitude is arbitrary. or do you mean you want to determine which
structures in the trajectory have min/max projection and extract those?
On Sat, Aug 29, 2009 at 10:43 AM, Chunliyan <chunliyan.mail.utexas.edu>wrote:
> Dear all,
>
> We can use DynDom if you have two conformations of the same
> protein. These may be two X-ray structures, or structures generated using
> simulation techniques such as molecular dynamics or normal mode analysis. I
> want to ask how to get structures from principle component analysis of MD
> trajectory, and then use them to do DynDom analysis. These structures are
> the structure with the minimal projections or maximal projections for every
> modes? Is it right? If not, how we can get it. Thanks for your help.
>
> All the best,
> Chunli Yan
> UT at Austin
>
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Received on Wed Sep 02 2009 - 23:06:13 PDT
