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I am unsure if a per-atom RMSD calculation tool is available in MDAnalysis. I did find that a 2D RMSD calculation for trajectories is available. However, I want to calculate RMSD values either residue-wise or atom-wise between two PDB files or two frames.
Do you have any suggestions or guidance on how to approach this? Any help would be greatly appreciated.
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Hi,
I am unsure if a per-atom RMSD calculation tool is available in MDAnalysis. I did find that a 2D RMSD calculation for trajectories is available. However, I want to calculate RMSD values either residue-wise or atom-wise between two PDB files or two frames.
Do you have any suggestions or guidance on how to approach this? Any help would be greatly appreciated.
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