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World Community Grid Forums
Category: Completed Research
Forum: OpenZika
Thread: Welcome to the OpenZika Project |
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Thread Status: Active Thread Type: Sticky Thread Total posts in this thread: 93
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Stiwi
Advanced Cruncher Joined: May 19, 2012 Post Count: 73 Status: Offline Project Badges: 
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New Experiment:
Experiment 6A = Virtual Screening against the Envelope protein Docking calculations against ZIKV capsid protein crystal structures (PDB ID: 5kve, 5kvf, 5kvg, 5gzn, 5lbs, 5gzo, 5lbv, 5jhl, 5jhm, 5kvd, 6dfi) and DENV (PDB ID: 3j2p, 3uaj, 4uta) were performed against ZINC15 Library (30.2 million compounds). 391157-404731 BigLib (ZINC15 library) |
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PabloMalaga
Advanced Cruncher Joined: Jul 7, 2011 Post Count: 51 Status: Offline Project Badges: 
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Experiment 5B completed!
----------------------------------------[Edit 1 times, last edit by PabloMalaga at Feb 7, 2019 8:00:50 PM] |
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Stiwi
Advanced Cruncher Joined: May 19, 2012 Post Count: 73 Status: Offline Project Badges:
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New Experiment:
Experiment 3B = Virtual Screening against the NS1 protein (crystal and protein conformations from MD simulation) 404732-412876 BigLib (ZINC15 library) |
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Speedy51
Veteran Cruncher New Zealand Joined: Nov 4, 2005 Post Count: 1261 Status: Offline Project Badges: 
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I noticed this task ran through my system yesterday ZIKA_ 000395372_ x4uta_ DENV2_ E-antibody_ 3322_ 0--taking 0.24 hours
----------------------------------------ZIKA_ 000395372_ x4uta_ DENV2_ E-antibody_ 3266_ 0-- taking 0.40 hours ZIKA_ 000395372_ x4uta_ DENV2_ E-antibody_ 3285_ 0-- taking 0.26 hours on Windows 10 latest stable build  [Edit 1 times, last edit by Speedy51 at Feb 18, 2019 3:02:19 AM] |
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Sgt.Joe
Ace Cruncher USA Joined: Jul 4, 2006 Post Count: 7574 Status: Offline Project Badges: 
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I just took a quick look at my results and I see a smattering of the ultra quick units. Anywhere from .08 to .35 hours. They are probably about 10% of the total units. The rest are about 1.25 to 3 hours depending on the machine. Most of them are done with Linux, one machine on Windows Vista.
----------------------------------------Cheers
Sgt. Joe
*Minnesota Crunchers* |
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Speedy51
Veteran Cruncher New Zealand Joined: Nov 4, 2005 Post Count: 1261 Status: Offline Project Badges:
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Interesting Sgt Joe. I am assuming that your results are faster on Linux? On my Windows machine work averages either just below 2 hours or around 2 1/2 hours some results I have seen in the high 3 hour range
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Sgt.Joe
Ace Cruncher USA Joined: Jul 4, 2006 Post Count: 7574 Status: Offline Project Badges:
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Interesting Sgt Joe. I am assuming that your results are faster on Linux? On my Windows machine work averages either just below 2 hours or around 2 1/2 hours some results I have seen in the high 3 hour range The Vina projects do run faster on Linux than Windows, but I am pleasantly surprised with my Windows Vista machine which is a Q6600 which finishes Zika units inn about 3 to 3.5 hours on a consistent basis. Cheers
Sgt. Joe
*Minnesota Crunchers* |
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Speedy51
Veteran Cruncher New Zealand Joined: Nov 4, 2005 Post Count: 1261 Status: Offline Project Badges:
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Experiment 5B completed! Thank you for letting us know experiment 5B is complete. I am interested to know where you got this information from? As it is not on the OpenZika website at the time I write this post |
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Dayle Diamond
Senior Cruncher Joined: Jan 31, 2013 Post Count: 450 Status: Offline Project Badges: 
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The latest work unit batch numbers have surpassed the experiment's range.
We are currently computing Experiment 6A. |
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Speedy51
Veteran Cruncher New Zealand Joined: Nov 4, 2005 Post Count: 1261 Status: Offline Project Badges:
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The latest work unit batch numbers have surpassed the experiment's range. We are currently computing Experiment 6A. Thank you for letting me know this information. How do you know that we are on experiment 6A? Are you thinking this because we are going in order? I am just trying to understand how you will know the experiment number |
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