MantisBT - Rosetta
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0000129Rosetta[All Projects] Bad Codingpublic2012-10-09 22:342012-10-09 22:54
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bin/loopmodel.macosgccrelease -d ~/rosetta_database -s start.pdb -loops:loop_file multiple.loops
0000129: centroid-stage modeling of multiple loops proceeds one-by-one instead of iteratively
When multiple loops are remodeled, in 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.
consider modifying the LoopMover base class instead of just IndependentLoopMover
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Issue History
2012-10-09 22:34amelieNew Issue
2012-10-09 22:34amelieStatusnew => assigned
2012-10-09 22:34amelieAssigned To => kylebarlow

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