PCA eigenvectors

[Alexander Fokas]

I was wandering how I would go about outputting the eigenvectors for the first PC for the Calpha atoms and for all atoms?

Many thanks,

Alexander

[Xinqiu Yao]

Hi,

Do you mean writing the eigenvector to a plain text file? You can use cat() to do that. For example cat(pca$U[, 1], sep='\n', file='pc1.txt').

You can't output PCs for all atoms if your PCA only includes Calpha atoms. You might try all-atom PCA and then use above command to write PCs for all atoms.