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Revisions №58615

branch: master 「№58615」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「697d468bc6d6f8eb」 「№1264」
Difference from previous tested commit:  code diff
Commit date: 2016-04-11 15:17:41

Merge pull request #1264 from RosettaCommons/jadolfbr/sugars/glycan_relax_random_start Glycan Relax updates Description ========= This PR makes the default number of Glycan Relax rounds to 50 and adds two ways to start the modeling off, either by randomly sampling every glycan torsion first from the move map, or by randomly sampling each torsion using the sugarBB probabilities for those with which we have sugarBB data. @raemisch Has run preliminary tests on 50k models per experiment and found that if you do not have a real starting glycan conformation, that 50 or 75 rounds and random start both produces greater sampling diversity in the final models (with a lower number of decoys needed) and enriches for low-energy models. Still much benchmarking to do, but this is a start. Options ====== cmd-line: - -glycan_relax_random_start - -glycan_relax_sugar_bb_start RS: - random_start - sugar_bb_start

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