PCA on particular residues
Issue #656
resolved
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
Comments (4)
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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.