AMBER Archive (2006)

Subject: AMBER: RMS & PCA

From: Zu Thur Yew (
Date: Mon Jul 17 2006 - 09:55:12 CDT


I'm new to Amber and would like to ask 2 questions relating to rms & PCA

1. Is it possible to rms fit structures with respect to backbone atoms,
but get a residue by residue rmsd, like residue 1 compared to residue 1
of the reference structure?

2. Is it correct to say that "image" is not needed, but a rms fit is
required for PCA?

Thanks, any help/advice is much appreciated!

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