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| ID | Project | Category | View Status | Date Submitted | Last Update |
| 0000241 | Rosetta | [All Projects] Incorrect Results | public | 2013-04-02 16:29 | 2013-04-02 16:33 |
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| Reporter | smlewis | |
| Assigned To | | |
| Priority | normal | Severity | minor | Reproducibility | always |
| Status | new | Resolution | open | |
| Platform | | OS | | OS Version | |
| Product Version | | |
| Fixed in Version | | |
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| Summary | 0000241: Docking uses constraints only on first nstruct with -docking_local_refine |
| Description | This 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.
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| Additional Information | https://www.rosettacommons.org/node/3247 [^] |
| Tags | No tags attached. |
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| Application(s) Affected | docking_protocol |
| Command Line Used | docking_protocol -docking_local_refine -cst_file |
| Developer Options | Confirmed As Bug |
| Fixed in SVN Version | |
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| Attached Files |  docking.tar.gz [^] (224,149 bytes) 2013-04-02 16:33 |
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