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World Community Grid Forums
Category: Completed Research
Forum: FightAIDS@Home
Thread: No Molecules or Graph are showing up |
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Thread Status: Active Total posts in this thread: 8
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Is it normal, that I don't see any molecules, just the structure of the protease? And then part B and C are showing no information, nothing is displayed. Here, watch it yourself WCG Autodock
Can anybody tell me why this happens? You might also notice, that the WU is already 38 % done. And still no graphics. I'd appreciate any answers that make me understand that. |
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Alther
Former World Community Grid Tech United States of America Joined: Sep 30, 2004 Post Count: 414 Status: Offline Project Badges: 
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Is it normal, that I don't see any molecules, just the structure of the protease? And then part B and C are showing no information, nothing is displayed. Here, watch it yourself WCG Autodock Can anybody tell me why this happens? You might also notice, that the WU is already 38 % done. And still no graphics. I'd appreciate any answers that make me understand that. I know it's confusing to see nothing really happening on the screen, but things are "normal" in that the workunit IS crunching properly. As long as the percent complete continues to progress, you're fine. The reason you are not seeing any graphics, other than the percent increase, is that we only display docking data that are "good". "good" meaning below a certain energy level. In your case, the workunit has not produced any "good" dockings so far...but that doesn't mean the workunit is "bad" or "useless". It's just as helpful to know when ligands don't dock well. We are working on modifying the graphics so that you see more activity when the workunit is generating poor dockings.
Rick Alther
Former World Community Grid Developer |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Allright, thanks for that information. Was just wondering...but now that I know I don't even mind that there is no graphic shown.
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Cajun Cutie
Cruncher Joined: May 30, 2005 Post Count: 21 Status: Offline Project Badges: 
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Thanks that also answers my situation. I've watched my current molecule progress from 21.1 to 21.6% with no graphics. I might add that the docking energies graph and best docking energy graph (both B & C) are currently showing a range of zero to zero.
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Alther
Former World Community Grid Tech United States of America Joined: Sep 30, 2004 Post Count: 414 Status: Offline Project Badges:
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I might add that the docking energies graph and best docking energy graph (both B & C) are currently showing a range of zero to zero. That's because those are currently the default values and if there is no data to display, the ranges aren't updated. This will be corrected in an upcoming release. There is a rare bug where data IS being displayed in the B panel and it was possible for the axis end range to show 0.0. That has already fixed and will be rolled out with the next update (no timeframe on that yet so, no need to ask when  ).
Rick Alther
Former World Community Grid Developer |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
might be or not be a bit off topic but what do you think of this one?
 is it looking good? just would like to know what you think of it, because it has a really large (and very logical looking) concentration of docking energies kind regards |
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
One of my grid computers (maybe more?) is on its second work unit with very minimal graphics. "Minimal" because they sometimes do show graphics: A single sphere (atom?) very low on the spectrum. Maybe two spheres; one low, one high. And their docking energy graphs were very odd. The dotted red line (expected value?) was very high while the solid line was far from it. I hope it's actually doing something; I seem to get points for it.
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Former Member
Cruncher Joined: May 22, 2018 Post Count: 0 Status: Offline |
Hello rutgers-nieer-cgilbert.
We will gain experience in interpreting the graphs, but my current understanding is that you are seeing a very poor candidate that has just barely managed to meet minimum requirements for docking. But the information is still important. Keep on crunching! mycrofth |
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