[AMBER] PCA and K-mean together scripting in CPPTRAJ

From: Nisha Amarnath Jonniya <phd1601271002.iiti.ac.in>
Date: Thu, 12 Aug 2021 14:44:30 +0530

Dear Amber users,

I would like to appreciate any help in the regard of my concern.
I would like to take principal components as an input for the K-mean to
define number of possible clusters for the given principal components and
to extract the respective pdb structure for each cluster.
Is there any script available to take principal components as an input in
k-mean in CPPTRAJ?


Nisha Amarnath Jonniya
PhD Research Scholar
Biosciences and Biomedical Engineering
Indian Institute of Technology, Indore
AMBER mailing list
Received on Thu Aug 12 2021 - 02:30:02 PDT
Custom Search