Hi Ankita,
No, the file contains the 3Nx3N covariance matrix, row by row, split over
triplets, mass weighted if you did the analysis mass-weighted. But for
C-alpha only there is no difference between mass-weighted and
non-mass-weighted, except for global scaling.
Cheers,
Tsjerk
On Mon, Jul 1,
where N is the number of atoms and n is the number of frames :p
T.
On Mon, Jul 1, 2013 at 8:29 AM, Tsjerk Wassenaar wrote:
> Hi Ankita,
>
> I should not answer questions before coffee!! Sorry.
>
> It's the covariance matrix! So it's
>
> 1/n sum x1x1 1/n sum x1y1 1/n sum x1z1
> 1/n sum x1x2
Hi Ankita,
I should not answer questions before coffee!! Sorry.
It's the covariance matrix! So it's
1/n sum x1x1 1/n sum x1y1 1/n sum x1z1
1/n sum x1x2 1/n sum x1y2 1/n sum x1z2
...
1/n sum zNxN 1/n sum zNyN 1/n sum zNzN
Silly me :|
Tsjerk
On Mon, Jul 1, 2013 at 8:09 AM, Ankita nai
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