Hi all,

I have been trying to fetch different types of data from the PDB for a data structuration project recently.

However, I've stumbled upon a small issue when trying to fetch that related to ligands. Specifically, when trying to fetch PDB's own quality assessment data.

Let's take 3AC2 as an example: https://www.rcsb.org/structure/3AC2

If you look at the bottom right, the Ligand Structure Quality Assessment lists KSE as a "best fitted ligand". I realize I could fetch this data through an html request + beautifulsoup combo, but I was wondering if anyone knows if I could use the data provided by PDB (pdb file, xml etc...) to obtain that information, locally, on my own instance of their database.

And if so, how would I go about it?

Admittedly, structural data is a bit out of my comfort zone so forgive me if I'm missing some details, I'll of course complete the request further if necessary.

Thank you very much