Entering edit mode
3.6 years ago
srdjanmasirevic2
▴
10
Hello,
I have docked 1000 compounds using
vina --receptor rec_grids.pdbqt --ligand xtal_lig.pdbqt --configconfig.txt --log log.txt --out output.txt
however my resulting score is presented only in single decimal number. So when I rank them, I get around 20-30 compound with the same score (for instance -7.7). How do I know among these 20-30 compounds, which one of them performs better than the other when they all have same score represented as one decimal number (-7.7)?
Thanks