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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 | ||||||||
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(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). |
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(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. |
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(0000263) amelie (Attentive Developer) 2013-04-28 17:33 |
resolved in r55062 |
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Issue History |
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| 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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Issue History |
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