Binding energy calculation

[Anonymous]

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?

[Anonymous]

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

[Anonymous]

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

[Anonymous]

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/dc8/_interface_analyzer_doc.html

[Author]

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