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the meaning of total_score in docking

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the meaning of total_score in docking

Now,I use Rosetta for protein-protein docking.But I do not understand the meaning of total_score .-270 is better than -280?I think the Rosetta manual is not very perfect.What is more,Fnat , I_sc ,Irms, fa_ hack,interchain_contact are not write in manual.I will look forward to your response.Thank you.

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Mon, 2011-03-21 05:46

Scores are energies, albeit in nonphysical units. Therefore, more negative is more physically plausible.

Try some of the docking publications for those extra terms.

Fnat appears to be "fraction of native contacts"

I_sc is "interface score" = interaction energy

Irms = interface RMSD

I find no reference to "fa_ hack" or "fa_hack" in the code.

interchain_contact is some sort of filter on whether or not the chains are in contact.

Mon, 2011-03-21 07:22

Thank you.

Tue, 2011-03-22 07:35