Multidihedral pca -> sidechain pca?

[H-EKE]

Hi @drroe ,

I was looking this tutorial about dihedral pca ()

multidihedral MyTorsions phi psi resrange 6-9 out PhiPsi_6-9.dat

I was wondering if one could use that for sidechains, without needing to specify each chi1-chi2 for every residue, as shown here:

multidihedral dihtype chi1:N:CA:CB:CG out custom.dat

A last unrelated question, I was trying to follow this tutorial (https://ambermd.org/tutorials/advanced/tutorial41/index.php) where they do PCA too. I had a doubt regarding this part

Figure 2. PCA projection of 50 ns simulation.
Using a text editor, frames of the simulation representing each cluster were identified and turned into PDB
files using VMD.

Would you know how the did this? Or if htere is an automated way to do this thourg python?

Thanks in advance!