I would like to alter the energies of some residues in a pose after applying the scoring function. I want to do something along the lines:
pose.energies().residue_total_energies('some resi')[fa_atr] = 'some value'
Obviously this is not directly possible, since:
"TypeError: 'EMapVector' object does not support item assignment"
Is there any way to tinker around with an 'EMapVector' object? I was thinking maybe one can generate a new 'EMapVector' fill it with the old values (plus the altering of some) and then assign it (maybe via 'EMapVector.assign(EMapVector)') to the old object.
However, I did not get far with this strategy, so maybe it's bollocks. Any help/suggestion much appreciated!