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|[All Projects] Bad Coding
|Fixed in Version
|0000129: centroid-stage modeling of multiple loops proceeds one-by-one instead of iteratively
|When multiple loops are remodeled, in IndependentLoopMover.cc they are built one by one, in their internal order. In contrast, in the refinement protocols, a loop is randomly selected in each iteration. For loops that are close enough to affect each other's position, the current setup is inefficient if a loop that would need to move out of the way is handled after the others -- in this scenario, it's basically not possible to get a good solution out of the perturb/loop building stage.
|Steps To Reproduce
|consider modifying the LoopMover base class instead of just IndependentLoopMover
|No tags attached.
|Command Line Used
|bin/loopmodel.macosgccrelease -d ~/rosetta_database -s start.pdb -loops:loop_file multiple.loops
|Fixed in SVN Version