Hi,
Binding score is calculated as the total score of complex minus the sum of the scores of unbound two partners, should I repack the side-chain of two partners after seperate the complex, or just score them without repacking?
Post Situation:
The hub for Rosetta modeling software
It's your choice. Repacking is thought to give a more accurate/meaningful number.
Is there a Rosetta application that can repack side chains? I'd like to do this to calculate binding energy (as described in this question), but since I'm not a Rosetta developer, I'd prefer not to have to write my own application.
Is it possible to use the existing Rosetta applications to repack side chains?
Cheers,
Brett
I will pimp Stevens application, since I have used it a few times now - check it out here: http://www.rosettacommons.org/manuals/archive/rosetta3.4_user_guide/df/d...