PCA on particular residues

[Akash Pandya]

Hi,

I have a ligand binding site and I want to perform PCA on the binding site residues. Is that possible to do in bio3d?

Akash

[Xinqiu Yao]

Yes, of course. Please go through tutorials here http://thegrantlab.org/bio3d/tutorials

especially, http://thegrantlab.org/bio3d/tutorials/principal-component-analysis

Note that you can select any subset of atoms (>3) to do fitting and pca, using the atom.select() function.