MantisBT - Rosetta
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0000281Rosetta[All Projects] Crashpublic2013-06-10 19:502013-06-11 13:34
docking_protocol.linuxgccrelease -s 1brs.pdb -ex1 -ex2aro -use_input_sc -no_filters -docking_local_refine -dock_min -out:pdb
Confirmed As Bug
0000281: DockMinMover doesn't appropriately initialize MonteCarlo Object
If you run certain structures through fullatom minimization refinement docking, they can error out with a total_residue() != 0 assertion error.

From debugging, it looks to be because the first run of the TrialMover fails, leading to the MonteCarlo object resetting the pose to the last_accepted_ pose, which can be an empty pose because mc_ wasn't appropriately initialized.

I believe that uncommenting source/src/protocols/docking/ line 142 should fix the issue, although this results in a number of integration test changes on the server. (Reasonable or not, I don't know.)

Hat tip to albumns and tfliu on the forums for finding this issue. [^]
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? 1brs.pdb (269,706) 2013-06-10 19:50
Issue History
2013-06-10 19:50rmorettiNew Issue
2013-06-10 19:50rmorettiFile Added: 1brs.pdb
2013-06-11 13:34rmorettiFixed in SVN Version => 9456691412c6900df7e71dda50518aa0c1e7cf30
2013-06-11 13:34rmorettiStatusnew => resolved
2013-06-11 13:34rmorettiResolutionopen => fixed
2013-06-11 13:34rmorettiAssigned To => rmoretti

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