MantisBT - Rosetta
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IDProjectCategoryView StatusDate SubmittedLast Update
0000249Rosetta[All Projects] Incorrect Resultspublic2013-04-11 15:142013-04-11 15:14
Reportersmlewis 
Assigned To 
PrioritynormalSeverityminorReproducibilityalways
StatusnewResolutionopen 
PlatformOSOS Version
Product Version3.4 
Fixed in Version 
Application(s) Affectedminirosetta -protocol threading
Command Line Usedminirosetta -protocol threading
Developer Options
Fixed in SVN Version
Summary0000249: -select_best_loops_from associated with ludicrous models (user report for 3.4)
Descriptionhttps://www.rosettacommons.org/node/3231#comment-6032 [^]

Basically, this user has a command line and input set (command line is in thread) that results in some reasonable models, and some models with broken sidechains - CB-xG bond vector distances are 20 angstroms or more.

The user reports that the problem is more frequent with larger values of -select_best_loops_from. This implies to me that something is remembering rotamers/sidechains/atom coordinates it should not, and re-threading wrong rotamers after some centroid-fullatom step.
Steps To Reproduce
Additional Information
TagsNo tags attached.
Relationships
related to 0000230new smlewis LoopMover_CCD (perturb_CCD) does not allow terminal loops; appears to be typo 
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Issue History
Date ModifiedUsernameFieldChange
2013-04-11 15:14smlewisNew Issue
2013-04-11 15:14smlewisRelationship addedrelated to 0000230

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