[gmx-users] paca 3d structure???

[Tsjerk Wassenaar]

Hi,

Then you have to do PCA on the whole structure.

Cheers,

Tsjerk

On Mar 7, 2013 3:15 AM, "라지브간디" <rajiv at kaist.ac.kr> wrote:

Thank you for your reply.


Actually I have done PCA for backbone and wants to see the motion
projections of eigenvectors in 3d structure.


The original trajectory only gives the normal snapshots of proteins but i
want those in pca projection manner.


I can only able to extract the motions projection of eigenvectors for
backbone and wants for full protein 3d structure?






Hi,

The 3D structures are in the original trajectory.
If you want particular 3D structure, e.g. corresponding to a certain
projection, then look at the time corresponding to that particular
projection and extract the frame at that time.

Cheers,

Tsjerk


On Wed, Mar 6, 2013 at 5:13 PM, ��������������� <rajiv at kaist.ac.kr> wrote:
> Dear gmx user,
>
> I have used g_covar and g_anaeig for backbone of proteins and got
projections, 2d projections and so on.
> What want to know is how do i get the 3D structure of the whole protein
(not only backbone) ?

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