Total score for individual residue

[Anonymous]

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()

scorefxn(pose)

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

print(AA_Score)

 

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?

[Anonymous]

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. 

[Anonymous]

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. 

[Anonymous]

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. 

[Author]

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