Cartesian vs dihedral angle space PCA

From: patrick wintrode (
Date: Mon Jul 12 2010 - 10:12:29 CDT

We have analyzed trajectories for wild type and mutant proteins using both Cartesian and dihedral angle space PCA. The results are generally consistent, although the motions seem more pronounced in the Cartesian PCA.

My question is; is there an emerging consensus in the MD community that dihedral PCA is preferable? Should one always present the results from both?

Apologies if the question is too general for this board, but I'm curious about other people's experiences/opinions.

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