[Biojava-l] average structure

[Andreas Prlic]

A geometric average should be easy to calculate. All NMR models have
the same number of atoms, so you could just average over all
alternative positions for an atom and use that to build up a mean
structure... However I would take that with a grain of salt and make
sure there are no distance violations by visual inspection and some
quality control scripts. There are standard/ideal coordinates
available for all amino acids, that you could use to compare with the
distances between atoms in your average structure.

Andreas

On Wed, Feb 9, 2011 at 11:22 AM, Jay Vyas <jayunit100 at gmail.com> wrote:
> Hi Guys : I was also wondering if biojava supported creating an average or
> mean structure from a bundle........
>
> --
> Jay Vyas
> MMSB/UCHC
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