Total score for individual residue

This topic has 3 replies, 2 voices, and was last updated 7 years, 6 months ago by Anonymous.

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- June 6, 2017 at 12:24 pm #2668
  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?
- June 6, 2017 at 5:27 pm #12376
  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.
- June 6, 2017 at 5:27 pm #12897
  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.
- June 6, 2017 at 5:27 pm #13418
  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.
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