AutoDock-Vina icon indicating copy to clipboard operation
AutoDock-Vina copied to clipboard

grid configuration

Open leticrisassis opened this issue 1 year ago • 4 comments

how to generate the box in autodockvina using script?

leticrisassis avatar Nov 01 '23 12:11 leticrisassis

Maybe --write_maps or --autobox are what you are looking for?

diogomart avatar Nov 01 '23 16:11 diogomart

Thank you, I want to generate box configurations for many complexes in order to run on Vina, but I confess that this grid step is not very clear.

leticrisassis avatar Nov 01 '23 16:11 leticrisassis

Do the docs help? Can you be more specific?

diogomart avatar Nov 01 '23 23:11 diogomart

I understand, thank you

leticrisassis avatar Nov 07 '23 13:11 leticrisassis