Bonus on interface energetics with prot-on, haddock3-score and alascan

[AnnaKravchenko]

• Added BONUS 1: Dissecting the interface energetics: how much can a single mutation matter?
• Renumbered other bonuses, both titles and occurences in the text.

Todo:

1. Correct interaction-energetics.cfg in zip & update precomputed run :
   Zip archive contains workflow [topoaa]->[emref]->[alascan]. Haddock scores are:
   /1_emref/emref_1.pdb -146.794 but ’native_score’ in [alascan] is -137.3792, which is a big difference.
   It is likely caused by alascan's own refinement. If [emref] is removed from the workflow - the ’native_score’ matches expected score.
2. Add get-alascan-extrema.sh to ./scripts/
3. (optional) The alascan part can be extended following example in Nb antiget tutorial: 1. idenfify a possible key residue visually baseed on default alascan output 2. add workflow with all the possible mutations (onther that to Alanine) of selected residue

[AnnaKravchenko]

Half of the BONUS 1, namely ### PROT-ON and haddock3-scoring to inspect a single mutation is ready for review

[amjjbonvin]

Nice addition Anna!