Calculating iplddt

[ECalfeeAdaptive]

Hi,

I've identified a potential mistake in the function calc_iplddt() in run_tcrmodel2.py . The line here appears to save plddt scores for just one atom per residue (the last row/atom for a given AA within the cutoff distance) and then takes an average of those saved values. Is this a typo? Should this function instead be taking an average plddt over all atoms within the cutoff distance? Or perhaps taking the average plddt for one consistent backbone atom per residue?

Thank you,
Erin