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GPU supported Pyrx

PostPosted: Mon Jan 26, 2015 9:01 am
by jrhaulung
Dear Sargis:
Is it possible to use GPU to speedup docking in Pyrx?

Best,

Jrhau

Re: GPU supported Pyrx

PostPosted: Tue Jan 27, 2015 3:16 am
by sargis
Dear Jrhau,

Good question. GPU will not speedup docking in PyRx since neither AutoDock 4 nor Vina are using GPU.

Best,
Sargis

Re: GPU supported Pyrx

PostPosted: Tue Jun 28, 2016 6:05 pm
by Nazz
On a related note, while GPUs will not speedup docking, will it allow the running of more jobs simultaneously?

Re: GPU supported Pyrx

PostPosted: Wed Jun 29, 2016 12:55 am
by sargis
Nazz wrote:On a related note, while GPUs will not speedup docking, will it allow the running of more jobs simultaneously?

GPU will not allow running more jobs simultaneously. There are third-party GPU enabled versions of AutoDock 4 and Vina. I haven't used any of them and don't know if they speedup docking.