ccsb-scripps / AutoDock-Vina

AutoDock Vina
http://vina.scripps.edu
Apache License 2.0
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grid configuration #252

Open leticrisassis opened 8 months ago

leticrisassis commented 8 months ago

how to generate the box in autodockvina using script?

diogomart commented 8 months ago

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

leticrisassis commented 8 months ago

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.

diogomart commented 8 months ago

Do the docs help? Can you be more specific?

leticrisassis commented 8 months ago

I understand, thank you