Hi can you please shed some light on how Irms (reported in the score.fasc file produced as rosetta dock results) is calculated?
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.
Please let me know how Irms is defined. Thank you.