ProLIF Random result of ifp?

When I use prolif to analyze the ifp of following receptor and ligand, it gave me different ifp results. So is there any random module or algorithm in proliferation? BTW, I use plf.Fingerprint(count=True) in my code.

receptor file: 7en8_clean_H.pdbfixer.pdb.txt

ligand file:7en8_lig_H.sdf.txt

Mar 15 '24 08:03 tom832

Well at least not intentionally. I gave your files a go and the results for 10 repeats are the exact same, are you sure you tried on the same python installation? Which version are you using?

Mar 15 '24 22:03 cbouy

I found it might be the random positions of added H with pdbfixer I used. Have you ever found this issue? or how can I get solid added Hs‘ positions?

Apr 09 '24 08:04 tom832

Ah right, then yes different H positions are going to affect the HBond detection. Can't offer support for pdbfixer though, but hopefully there's a random seed that you can set there to help with that

Apr 09 '24 14:04 cbouy