Oh, so you mean,
model 1
--- original protein ----
model 2
...mutation 1...
model 3
...mutation 2...
model 4
...mutation 3...
like that?
On Fri, Jan 30, 2015 at 10:25 AM, Rolf Huehne <rhue...@fli-leibniz.de>
wrote:
> On 01/30/2015 05:17 PM, Robert Hanson wrote:
> > I think 400 protein models in a single multi-model PDB file is
> problematic.
> > 30,000 x 400 = 12,000,000 atoms.
> >
> That is why I proposed not to copy the whole model but just the mutated
> residues.
> So for a protein with 30,000 atoms and an average of 20 atoms per
> residue this would mean 38,000 atoms afterwards.
>
> Regards,
> Rolf
> --
>
> Rolf Huehne
> Postdoc
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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