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My inclination is that you probably want to combine the PerResidueEnergyMetric with the ResidueSummaryMetric -- If you use the "mean" action for the summarization, that should result in the final result being the normalized energy. (As the total score is almost certainly just the sum of the per-residue energies.) Alternatively, there's always the CalculatorMetric, which can provide arbitrary transformations, though I don't know if there's a "number of amino acids" metric you can use for the denominator. (Though there might be if you use the Filter equivalents of the Metrics.) |
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I used to use rosetta_scripts and I remember that I obtained normalized total_score (total_score (REU) divided by total number of amino acids) by using already coded rosetta_scripts option.
I would appreciate if someone can share that snippet in rosetta_scripts xml.
Of course, I coded by python that reupdates score.sc by counting total number of amino acids, but I wonder whether I can find that old rosetta_script snippet/option.
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