[gmx-users] Pca 3d structure ?

[Tsjerk Wassenaar]

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, 라지브간디 <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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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Biocomputing Group
Department of Biological Sciences
2500 University Drive NW
Calgary, AB T2N 1N4
Canada