[Dock-fans] GPU implementation of DOCK

Scott Brozell sbrozell at rci.rutgers.edu
Thu Jul 30 13:17:37 PDT 2009


Yes, there will be work on this.
We are planning to release 6.4 soon, and
the GPU stuff may be in 6.5.


On Wed, Jul 29, 2009 at 11:56:33AM -0700, John J. Irwin wrote:
> Hi Jim
> Thanks for your question about GPU implementations of DOCK.  I have
> heard many people express an interest in this, but I have not seen or
> heard of an implementation.  As you know, the DOCK source code is
> available to academics, so there is a reasonable chance that someone
> somewhere is working on it.  One of the conditions of the UCSF DOCK
> license is that any improvements in the code must be returned to the
> germline version at UCSF.  If that happens you will be among the first
> to know.
> John
> Prism Sciences wrote:
> > Hello,
> >    There has been much written lately on the possible improvements of  
> > molecular simulations using massively parallel GPU  (graphics  
> > processor unit) coded versions of existing dock software.  I was  
> > wondering if there are GPUimplementations of DOCK available.  Or do  
> > you know of any groups that are actively developing an implementation?  
> > My cursory look via google yield hits for other programs but not DOCK,  
> > but that's also possibly due to the ambiguity of the search related to  
> > the  word "DOCK".
> >
> > Cheers,
> > --Jim Parker
> > UTSA Physics 

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