ADL: Autodock Vina: Increasing docked poses beyond 20
Anita K. Nivedha
anitaknivedha at gmail.com
Fri Jan 16 11:04:47 PST 2015
In AutoDock Vina's source code, within *main.cpp* there is a variable
called *par.mc.num_saved_mins*, which specifies the maximum number of
output models written. It's set at 20, but you can change that value
according to what you need and recompile.
All the best,
On Fri, Jan 16, 2015 at 10:26 AM, Matthew Cline <mcline at muralab.org> wrote:
> I am docking to a highly symmetric protein and I would like to determine if
> all sites can be filled. I can adjust num_modes but anything larger than 20
> poses results in just 20 poses. Is there a way to increase beyond this cap?
> Matthew Cline
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