VMD-L Mailing List

From: Hitesh Patel (hiteshpatel379_at_gmail.com)
Date: Wed Feb 01 2012 - 10:26:44 CST

Thanks,
Yes, I meant to say PCA. I am well experienced with R and matlab. But,
desmond trajectory files are binary files. How can I read trajectories in R
or matlab?? Can you please send any tutorial link or something like that?
While Searching for tool, I saw in some papers it was mentioned they, used
R package called Bio3D. But, in that also it does not identify desmond
trajectory files.

Regards,

Hitesh Patel

On Wed, Feb 1, 2012 at 5:18 PM, SAPAY Nicolas 232321
<Nicolas.SAPAY_at_cea.fr>wrote:

> If by PCA you mean "Principal Component Analysis", two popular tools for
> this kind of statistical analysis are R and Mathematica.
>
> Nico
>
> --
> [ Nicolas Sapay ]
> Molecular Modeling and Biocomputing
> Commissariat à l'Energie Atomique - Grenoble, France
> Tel : +33 (0)4 38 78 48 48
> ________________________________________
> De : owner-vmd-l_at_ks.uiuc.edu [owner-vmd-l_at_ks.uiuc.edu] de la part de
> Hitesh Patel [hiteshpatel379_at_gmail.com]
> Date d'envoi : mercredi 1 février 2012 16:29
> À : vmd-l_at_ks.uiuc.edu
> Objet : vmd-l: PCA of desmond trajectories
>
> Hello All,
>
> sorry to ask question not regarding VMD. I have desmond trajectories. And
> I want to do PCA of that. Could you please suggest me any tool for PCA of
> desmond trajectories?
> Thanks,
>
> Regards,
>
> Hitesh Patel
>
>