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Total score for individual residue

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Total score for individual residue

Dear PyRosetta People,


I am trying to find the total score of an individual residue. This is my script so far:


scorefxn = get_fa_scorefxn()
AA_Score = pose.energies().residue_total_energies(5)


It seems i get a massive print out, and when repeated for different residues gives the exact same values, so i am sure my script is wrong.


What is the correct way to get the total score for just 1 amino acid?

Post Situation: 
Tue, 2017-06-06 05:24

Instead of residue_total_energies( ), which gives you an object that has the (unweighted) energies for all scoretypes (basically a map), you want the function residue_total_energy(), which will give you a value of the (weighted) total energy. 

Tue, 2017-06-06 10:27