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ID | Project | Category | View Status | Date Submitted | Last Update | ||||
0000255 | Rosetta | [All Projects] Incorrect Results | public | 2013-04-25 19:18 | 2013-04-28 17:40 | ||||
Reporter | amelie | ||||||||
Assigned To | amelie | ||||||||
Priority | normal | Severity | minor | Reproducibility | always | ||||
Status | resolved | Resolution | fixed | ||||||
Platform | All platforms | OS | Any | OS Version | Any | ||||
Product Version | Trunk | ||||||||
Fixed in Version | |||||||||
Summary | 0000255: KIC always reports a chainbreak score of 0 | ||||||||
Description | The 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. | ||||||||
Tags | No tags attached. | ||||||||
Application(s) Affected | loopmodel.<binary> | ||||||||
Command Line Used | loopmodel.<binary> -loops:remodel perturb_kic -loops:refine refine_kic | ||||||||
Developer Options | Confirmed As Bug | ||||||||
Fixed in SVN Version | 55062 | ||||||||
Attached Files | |||||||||
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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