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IDProjectCategoryView StatusDate SubmittedLast Update
0000255Rosetta[All Projects] Incorrect Resultspublic2013-04-25 19:182013-04-28 17:40
Reporteramelie 
Assigned Toamelie 
PrioritynormalSeverityminorReproducibilityalways
StatusresolvedResolutionfixed 
PlatformAll platformsOSAnyOS VersionAny
Product VersionTrunk 
Fixed in Version 
Summary0000255: KIC always reports a chainbreak score of 0
DescriptionThe chainbreak score term of the scorefxn used for repacking must have gotten lost in some repacking step, so that now the reported chainbreak score is always 0.
TagsNo tags attached.
Application(s) Affectedloopmodel.<binary>
Command Line Usedloopmodel.<binary> -loops:remodel perturb_kic -loops:refine refine_kic
Developer OptionsConfirmed As Bug
Fixed in SVN Version55062
Attached Files

- Relationships

-  Notes
(0000260)
smlewis (Administrator)
2013-04-25 21:05

 If the chainbreak score is reported, the score is working - the problem is the protein_cutpoint_upper and _lower variant types on the expected break are lost. chainbreak is only calculated over peptide bonds with those variants (and a break in the FoldTree/AtomTree to go with it, or else the variants cannot be added - since KIC has no break, it might never work).
(0000261)
amelie (Attentive Developer)
2013-04-25 21:14

 Steven - this was probably a misunderstanding, the chainbreak score is not reported during the course of loop modeling, only at the very end of the protocol where it is explicitly requested via getPoseExtraScores. When using sfxn->show(pose) there is no chainbreak score shown. The upper and lower cutpoints are set though. As soon as I set a non-zero weight for chainbreak, there is a non-zero score.
(0000263)
amelie (Attentive Developer)
2013-04-28 17:33

 resolved in r55062

- Issue History
Date Modified Username Field Change
2013-04-25 19:18 amelie New Issue
2013-04-25 19:18 amelie Status new => assigned
2013-04-25 19:18 amelie Assigned To => amelie
2013-04-25 21:05 smlewis Note Added: 0000260
2013-04-25 21:14 amelie Note Added: 0000261
2013-04-28 17:33 amelie Note Added: 0000263
2013-04-28 17:34 amelie Fixed in SVN Version => 55062
2013-04-28 17:34 amelie Status assigned => closed
2013-04-28 17:34 amelie Resolution open => fixed
2013-04-28 17:39 amelie Status closed => feedback
2013-04-28 17:39 amelie Resolution fixed => reopened
2013-04-28 17:40 amelie Status feedback => resolved
2013-04-28 17:40 amelie Resolution reopened => fixed

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