Molecular Docking Server

"pause" function
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Author:  joaks77 [ Wed Aug 12, 2015 2:26 am ]
Post subject:  "pause" function

Since only two processors can be used at once, a feature to pause ongoing docking could be helpful.

I have two dockings running but decided I want to get several more in queue. Right now I would need to wait for the first two to finish before I could finish the preparation of the new ligands/proteins. If I could pause the dockings that are running this would allow me to finish the new material and put them in line. Then I un-pause and the two dockings continue with the new dockings in line behind.

Author:  bikadi [ Wed Aug 12, 2015 7:22 pm ]
Post subject:  Re: "pause" function

Yes, you are absolutely right, this is a very typical case. It is not easy to implement though, many problems would arise that affects the stability of our system. We have earlier considered this and decided to solve this by giving priority to short processes - so e.g. if you have 10 dockings waiting and 10 ligand preparations than the latter will run first when you have a free process again. So it is almost what you say but your solution would provide better user experience for sure. We will rethink this issue, thanks for you comment.

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