to perform vina against a database of ligands
1
2
Entering edit mode
3.2 years ago

I have 30000 compounds as ligands which I have to check against one receptor. How would I program vina to to run them altogether without manually writing a config file for each ligand to be docked. Any specific comman available using vina ??

software error • 1.1k views
ADD COMMENT
2
Entering edit mode
3.2 years ago

You can use PyRx tool for virtual screening, I think it will be best for your work. Link is given below.

https://sourceforge.net/projects/pyrx/files/

ADD COMMENT

Login before adding your answer.

Traffic: 1275 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