I’m trying to calculate the common heavy atom RMSD between a polypeptide fragment and a variant, but in reading through the various RMSD functions in pyrosetta.rosetta.core.scoring it isn’t clear why all_atom RMSD functions don’t fail when given two poses which differ by amino acid identity – can anybody explain what’s going on under the hood here or direct me to some documentation that details it? Also, do/how can any of the protein RMSD functions specify heavy atoms only as a predicate?
Thanks, I’d appreciate any assistance.
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