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PostPosted: Tue Sep 06, 2011 7:23 pm 
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Millimolar User
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Joined: Tue Jan 25, 2011 11:47 am
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Dear all,

I have heard about CUDA parallel processing technology which
efficiently enhances the speed of autodock running
about some orders of magnitude, but I have not yet experienced it personally.

As "virtual screening" is highly dependent on computational resources at hand,
is it currently possible to take advantage of CUDA parallel processing power
in combination with Raccoon?

If YES, does any guide exist for implemeting it?
If NO, is it expectable that the Raccoon developers integrate Raccoon's
GUI with the power of CUDA in the next Raccoon release in order to increase
its efficiency and speed, besides its ease of use?


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PostPosted: Mon Sep 12, 2011 2:02 am 
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Joined: Mon Oct 20, 2008 6:34 pm
Posts: 200
Hi gmstma,

to have access to CUDA features, you don't need to change Raccoon, you have to use a different binary of AutoDock. There is a version of AutoDock on GPU is available here but it is fairly old.
If you want to use that, you can generate your files the same way you do with a regular AutoDock virtual screening.

Stefano


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