ADL: AutoDock Vina at

Róbert Kiss rkiss at
Thu May 31 12:37:11 PDT 2012

Hi Oleg,

On Thu, May 31, 2012 at 1:48 AM, Oleg Trott <trott at> wrote:
> Dear Robert,
> That looks very nice! I'm curious, what libraries do you screen, and
> do the users need to contact the vendors themselves, or is the
> ordering streamlined too?

Thanks! Users can screen the mcule database or a subset of thereof by
default. We will allow the screening of user uploaded libraries too
very soon. The mcule database contains purchasable compounds only, so
any virtual hit coming our of the screening can be ordered by a few

 I'm assuming this is all done on Amazon's
> EC2 ?

We have a dedicated server at another cloud provider, but we allocate
Amazon EC2 machines automatically for larger calculations.


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