Reply To: Interface rmsd calculation Irms

[Anonymous]

Hi,

not sure how the Irms is calculated but I see it as well although I haven’t used the fake_native flag. I think the “rms” column is the Ca rms of the “ligand” unit.

> Hi can you please shed some light on how Irms (reported in the score.fasc file produced as rosetta dock results) is calculated?
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> I tried looking at residues of the “ligand protein” that have any heavy atoms within 4 angstroms of the “receptor protein” heavy atoms in the decoy and computing Calpha rmsd shift from the original input versus the decoy. The values I compute are too big by a factor of about 2.
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> Please let me know how Irms is defined. Thank you.