ADL: Autodock on GPU - Commercial

Jack Shultz js at drugdiscoveryathome.com
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.
http://www.khronos.org/developers/resources/opencl/

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
http://sourceforge.net/projects/gpuautodock/

On Fri, Jun 26, 2009 at 8:51 AM, Sarnath K - TLS,
Bangalore<k_sarnath at hcl.in> 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
> www.hcltech.com
> www.hcl.in <http://www.hcl.in/>
>
>
> DISCLAIMER:
> -----------------------------------------------------------------------------------------------------------------------
>
> The contents of this e-mail and any attachment(s) are confidential and intended for the named recipient(s) only.
> It shall not attach any liability on the originator or HCL or its affiliates. Any views or opinions presented in
> this email are solely those of the author and may not necessarily reflect the opinions of HCL or its affiliates.
> Any form of reproduction, dissemination, copying, disclosure, modification, distribution and / or publication of
> this message without the prior written consent of the author of this e-mail is strictly prohibited. If you have
> received this email in error please delete it and notify the sender immediately. Before opening any mail and
> attachments please check them for viruses and defect.
>
> -----------------------------------------------------------------------------------------------------------------------
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>



-- 
Jack

http://drugdiscoveryathome.com
http://hydrogenathome.org



More information about the autodock mailing list