CASP6 graphics

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Message 15163 - Posted: 1 May 2006, 15:31:28 UTC
Last modified: 1 May 2006, 15:38:48 UTC

So far all my 5.07 CASP6 units are completing. However, one issue bugs me and I'm sure it's not high on the priority list, but here goes. The graphics are not good. Most of the protein on both t209 and t241 are outside the confines of their respective boxes on the "searching", "Accepted", and "low energy" boxes. Also, the analog graphs for "Accepted energy" and "RMSD" are seldom actually in their boxes. This means the "point plot" cross hairs are almost NEVER in the box. Sometimes I see the horizontal line, sometimes the vertical, but almost never both. [edit]for example, one is 68% done, model 5, and the other is 87% model 9, and the right hand corner boxes each have ONE red dot, no teal dots at all.

I'm using 17" displays, one with S3 onboard graphics and one with Asus PCI-express 6200 graphics card.

If someone walked by and asked about the displays, It wouldn't imply a professional image to prospective crunchers.

tony



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Message 15172 - Posted: 1 May 2006, 16:10:35 UTC

I've noticed that with some of these, the "native" form is all fragmented. Here is an example, I believe it shows Tony's point as well.


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Message 15173 - Posted: 1 May 2006, 16:14:43 UTC


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Message 15174 - Posted: 1 May 2006, 16:15:10 UTC

EXACTLY
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Message 15178 - Posted: 1 May 2006, 16:31:37 UTC
Last modified: 1 May 2006, 16:32:16 UTC

Well, let me tell what I "know", and see if it explains at least the missing red dots. (Note my graphic, how I'm on model 15, but I don't see ANY red dots from prior models).

The red dots indicate the best energy levels of your prior model computations. So, on model 1, there aren't any. On model 2, you should see a red dot for your model 1 prediction... etc. If you get up to 50 models, you'll see many red dots.

The "problem" is that in your current model, your energy readings are scaled dynamically to include this models history. And so frequently, especially early in the model, you don't see all (or any!) of your red dots from your prior models. This is because your current model hasn't come anywhere close to those best energe levels of the prior run, and so essentially the red dots are outside of the current scale of your graph. If you current model improves as the others did, you'll hit lower energy levels and see more of your prior model red dots.

So, it's possible, the current model is just one of many thousands of others that is not producing a great result. Or at least not YET.
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Message 15179 - Posted: 1 May 2006, 16:36:23 UTC
Last modified: 1 May 2006, 16:37:05 UTC

Well, if properly oriented, some could view this issue as a compliment on how well they've done. I mean, before we were posting about WU that won't finish.
Now that they're finishing, we're posting about something less serious. I mean we're always going to complain about one thing or another. LOL

I guess it's progress.
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Message 15181 - Posted: 1 May 2006, 16:39:55 UTC - in response to Message 15179.  

Well, if properly oriented, some could view this issue as a compliment on how well they've done. I mean, before we were posting about WU that won't finish.
Now that they're finishing, we're posting about something less serious. I mean we're always going to complain about one thing or another. LOL

I guess it's progress.


Well spoken

Anders n
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Message 15182 - Posted: 1 May 2006, 16:43:37 UTC - in response to Message 15178.  
Last modified: 1 May 2006, 16:43:58 UTC

Well, let me tell what I "know", and see if it explains at least the missing red dots. (Note my graphic, how I'm on model 15, but I don't see ANY red dots from prior models).

The red dots indicate the best energy levels of your prior model computations. So, on model 1, there aren't any. On model 2, you should see a red dot for your model 1 prediction... etc. If you get up to 50 models, you'll see many red dots.

The "problem" is that in your current model, your energy readings are scaled dynamically to include this models history. And so frequently, especially early in the model, you don't see all (or any!) of your red dots from your prior models. This is because your current model hasn't come anywhere close to those best energe levels of the prior run, and so essentially the red dots are outside of the current scale of your graph. If you current model improves as the others did, you'll hit lower energy levels and see more of your prior model red dots.

So, it's possible, the current model is just one of many thousands of others that is not producing a great result. Or at least not YET.



Well normally the steps start a 0 or somthing like that for each model.

This one does not, it only continues to count right now model 15 step 5250000.

Anders n

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Message 15183 - Posted: 1 May 2006, 16:47:16 UTC - in response to Message 15182.  

This one does not, it only continues to count right now model 15 step 5250000.

Anders n

Which result is that?? I can keep my eyes out for it.
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Message 15184 - Posted: 1 May 2006, 16:48:08 UTC - in response to Message 15183.  

This one does not, it only continues to count right now model 15 step 5250000.

Anders n

Which result is that?? I can keep my eyes out for it.


se post 3 in this thread.

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Message 15185 - Posted: 1 May 2006, 16:52:25 UTC

I have a Jumpbarcode01. I've suspended all projects to watch. I have to get through my AB CASP6 t241 first.
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Message 15191 - Posted: 1 May 2006, 17:27:27 UTC - in response to Message 15182.  

Well normally the steps start a 0 or somthing like that for each model.

This one does not, it only continues to count right now model 15 step 5250000.


Whoa! THAT's not good. Please report the version number the WU is running under.
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Message 15192 - Posted: 1 May 2006, 17:38:42 UTC - in response to Message 15191.  
Last modified: 1 May 2006, 17:39:00 UTC

Well normally the steps start a 0 or somthing like that for each model.

This one does not, it only continues to count right now model 15 step 5250000.


Whoa! THAT's not good. Please report the version number the WU is running under.


It is this wu JUMP_ALLBARCODE03_1tul__468_425_0 on this link

https://boinc.bakerlab.org/rosetta/result.php?resultid=18807799

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Message 15195 - Posted: 1 May 2006, 17:44:40 UTC

Anders n, my 5.07 JUMP_ALLBARCODE01_1tul work unit is already at model 2 within 20 minutes. I don't know exactly when, I was in the shop.
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Message 15196 - Posted: 1 May 2006, 17:46:40 UTC

Well my wu finished and validated ok.

Anders n
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Message 15200 - Posted: 1 May 2006, 18:38:45 UTC
Last modified: 1 May 2006, 18:39:06 UTC

I wonder.....

The last time I watched the grafics it was on model 15 and

~1,5 H into the run.

How can it report 99 decoys after 2 H then?

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Message 15205 - Posted: 1 May 2006, 19:19:02 UTC
Last modified: 1 May 2006, 19:19:16 UTC

Mine is at 51.5%, 01:45:29, Model 6, Step 2,020,855
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Message 15212 - Posted: 1 May 2006, 21:02:12 UTC - in response to Message 15205.  

Hiya: Thanks for starting this thread. Let me see if I can answer some of these posts, which are really useful, by the way.

(1) The protein is going outside the box ... we can certainly change the scale on the box! Sorry about that. We can try to make a bigger box for longer proteins. In the future, it wouldn't be too hard to allow the user to zoom in/out on each conformation (note that you can currently do this on the native).

(2) The native protein looks completely messed up sometimes. I've seen this too, and haven't yet tracked down the problem. This might go to lower priority since in a week we'll be running mostly CASP proteins where we don't even know the structure!

(3) Steps are going SUPER high. Oops! That's in the new "jumping" science mode; we'll put in some code to restart the steps afer each model.

(4) Can't see red points from previous models. I think Feet1st is right, but I'll check on it. In "jumping" the red point may never get plotted...

Please continue to post comments on this thread on the graphics. There are some other things we'd like to improve on the graphics, like a description of the protein and workunit that is being crunched, and a more appealing representation of the protein. We're currently suffering a slight shortage of manpower for fixing these aesthetic issues ... that may change in the middle of the summer.



Mine is at 51.5%, 01:45:29, Model 6, Step 2,020,855


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Message 15213 - Posted: 1 May 2006, 21:09:26 UTC - in response to Message 15182.  
Last modified: 1 May 2006, 21:12:36 UTC


Well normally the steps start a 0 or somthing like that for each model.

This one does not, it only continues to count right now model 15 step 5250000.

Anders n

They are trying a new technique for model creation called "jumping" It is possible that the counting you are seeing is related to that approach. Part of that routine is the use of information from previous models to alter the path to finding the low energy. It is possible that this has the effect of not resetting the step counter between models, as it is really just continuing to step.

I have seen and reported all the same graphic issues on my systems to the project team. Rhiju has also seen this on his systems and is looking into it.

EDIT: I see Rhiju has already caught this one. I guess it pays to read the entire thread before responding.

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Message 15214 - Posted: 1 May 2006, 21:18:22 UTC - in response to Message 15212.  



(2) The native protein looks completely messed up sometimes. I've seen this too, and haven't yet tracked down the problem. This might go to lower priority since in a week we'll be running mostly CASP proteins where we don't even know the structure!



If the native structure is unknown, perhaps you should put a "?" or a smiley or something in the native box. Anything will do.

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Message boards : Number crunching : CASP6 graphics



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