Reports/Plots from active WUs

Questions and Answers : Windows : Reports/Plots from active WUs

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Michael.L

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Message 32876 - Posted: 18 Dec 2006, 21:59:38 UTC

Just seen the following in 'My Account' 'Active WUs'
FRA T362 NATIENV HOM0001 8 T362 6 2QF6A
BEST RMSD USER = 1979.73
BEST RMSD ALL USERS = 2.23
BEST SCORE USER = -281.14
BEST SCORE ALL USERS = -355.42

ETC ETC
last update
12 07 06 9 [the WU at the bottom of my listing]
Just curious as to why my RMSD was so different to all the others.
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Mod.Sense
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Message 33207 - Posted: 22 Dec 2006, 21:01:32 UTC

Basically, 1979 RMSD would be a model that does not at all match the native structure. If that was the only model you crunched for that task, then it just means the one you worked on wasn't very good. Takes thousands of those to find the few gems. With the docking tasks the RMSD really isn't meaningful, so if it was a task of that type, that could be the case as well.

With the numbers you've shown, it's not that your RMSD is so different then all the other users, just very different from the "best" found. And that's just one!

If you have further questions on it, it would be a good one for the science forum. Be sure to include a link to the work unit you are viewing.
Rosetta Moderator: Mod.Sense
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Questions and Answers : Windows : Reports/Plots from active WUs



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