ADL: Autodock on GPU - Commercial

Jack Shultz js at
Fri Jun 26 09:53:20 PDT 2009

I have been working along similar lines. "AutoDock 4 is free and is
available under the GNU General Public License." It should be no
problem for you to implement changes.

One thing to consider, implement this code using OpenCL instead of
CUDA. If you are able to implement with OpenCL then you have the
opportunity to take advantage of a new standard that will be used by a
variety of GPU manufactures. To date I have not come across any
example code for OpenCL. It is very new.

If you want to implement this with CUDA. There is a sourceforge
project that you can look at. I tried to make it work in Windows but
failed. CUDA is not supported in Cygwin. You should be able to use
this code in Linux and OSX

On Fri, Jun 26, 2009 at 8:51 AM, Sarnath K - TLS,
Bangalore<k_sarnath at> wrote:
> Dear  Dr.Olson,
> Greetings!
> Our company is interested in creating a CUDA (GPU) version of Autodock
> 4.0.
> We intend to use that application to provide high-speed docking services
> to any interested customers.
> At the moment, we neither have customers nor the GPU version of
> Autodock.
> Before we venture into this project, we would be interested to know if
> this would be possible and "OK" from your side.
> Kindly let us know what obligations we need to meet to take this
> forward.
> Thanks a lot for your time!
> Best Regards,
> Sarnath
> Sarnath Kannan
> Technical Manager
> HCL Technologies Ltd
> Electronic City
> +91-80-66267178
> <>
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