Re: PCA calculations

From: Poonam Pandey (poonam.pandey_at_iitgn.ac.in)
Date: Tue Nov 26 2019 - 10:25:16 CST

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Hi Shobhit,

You can use Bio3D (R package) or mdtraj (Python package) to perform PCA for
a dcd file. Please check the link given below:

http://thegrantlab.org/bio3d/tutorials/principal-component-analysis
http://mdtraj.org/latest/examples/pca.html

Thanks
Poonam

On Sat, 23 Nov, 2019, 11:06 PM SHOBHIT JAIN ., <
f20150817_at_hyderabad.bits-pilani.ac.in> wrote:

> Hello
> Please someone can guide me how to perform PCA calculation for a dcd file
> as i am not able to do using NMwiz plugin.
>
> Regards
> Shobhit Jain
>

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