Open danielzeng-gt opened 2 months ago
@danielzeng-gt , thanks a lot for bringing this to our attention! Although there is a direct interaction between the ligand and the protein lysine sidechain - it is missing the critical context of DNA that makes interactions with both. We will fix this bug in the future release.
In the meantime, you could consider using annotations of system_num_interactions
- to filter our entries that have less than a satisfactory number of interactions (the above case has 1).
We will come back with further updates!
Dear Plinder Authors,
I have a quick question regarding the system files. I was reviewing the system
8q5i__1__1.GA__1.ZB
, but I noticed that the DNA complex seems to be missing from both thesystem.cif
andreceptor.cif
files. Could you confirm if this is expected?Thank you for your help, I've attached a photo below: