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IDProjectCategoryView StatusDate SubmittedLast Update
0000241Rosetta[All Projects] Incorrect Resultspublic2013-04-02 16:292013-04-02 16:33
Reportersmlewis 
Assigned To 
PrioritynormalSeverityminorReproducibilityalways
StatusnewResolutionopen 
PlatformOSOS Version
Product Version 
Fixed in Version 
Summary0000241: Docking uses constraints only on first nstruct with -docking_local_refine
DescriptionThis test works with the docking_full_protocol integration test. (and attached)

-s input/1brs.pdb
-out:file:scorefile 1brs.fasc
-out:file:fullatom
-nstruct 3

-constraints:cst_file constraints.txt

-docking_local_refine


This flag set causes constraints to be used only on the first nstruct but not later nstruct. atom_pair_constraint weight is 1 in all outputs so I assume the constraints aren't getting loaded in subsequent nstruct - probably a bug in something getting remembered that shouldn't.


-reinitialize_mover_for_each_job fixes the problem but doesn't seem the right solution.
Additional Informationhttps://www.rosettacommons.org/node/3247 [^]
TagsNo tags attached.
Application(s) Affecteddocking_protocol
Command Line Useddocking_protocol -docking_local_refine -cst_file
Developer OptionsConfirmed As Bug
Fixed in SVN Version
Attached Filesgz file icon docking.tar.gz [^] (224,149 bytes) 2013-04-02 16:33

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- Issue History
Date Modified Username Field Change
2013-04-02 16:29 smlewis New Issue
2013-04-02 16:29 smlewis Developer Options => Confirmed As Bug
2013-04-02 16:33 smlewis File Added: docking.tar.gz


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