Same atom, multiple interactions

[Ciskio]

Hello everyone,
I was trying to use prolif to calculate the interactions between RNA and a ligand. Looking at the results I started to think that even in the bitvector (using bitvector_atoms) if an atom of the ligand is doing multiple interactions with RNA only one of them is reported. I sat up a toy system with formaldehyde manually placed to form 2 hydrogen bonds with the amino group of an adenine and only one of them is reported. Is there something that I'm missing?
Thank you

[cbouy]

Hi @Ciskio,

You are right, for a given pair of residues (your ligand and a nucleotide in your case) and an interaction type (HBond, pi-stacking... etc.) ProLIF currently only returns the first occurrence it finds.
I have plans to allow returning all occurrences of an interaction for a given pair in the future instead of only the first one, but that will take some time and will probably have to wait for next year.