How to sort and rank compounds docked with AutoDock Vina when the result is presented as only single decimal number?
0
0
Entering edit mode
3.6 years ago

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

Docking autodockVina VS VirtualScreening • 676 views
ADD COMMENT

Login before adding your answer.

Traffic: 1786 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6