Binding energy calculation

Member Site Forums Rosetta 3 Rosetta 3 – General Binding energy calculation

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    • #711

        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?

      • #4714

          It’s your choice. Repacking is thought to give a more accurate/meaningful number.

          • #6936

              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?


          • #6937

              I will pimp Stevens application, since I have used it a few times now – check it out here:

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