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Revisions №57734

branch: master 「№57734」
Commited by: Labonte
GitHub commit link: 「8ad359fff21c4fc0」 「№400」
Difference from previous tested commit:  code diff
Commit date: 2015-03-24 17:38:41

Merge pull request #400 from RosettaCommons/JWLabonte/sugars/ring_conformers Code clean-up and refactoring of the `RingConformerSet`-related code. NEWS: This merge should allow one to use the `RingConformationMover` on NCAAs with aliphatic, saturated rings, provided the `.params` files are set up properly. This merge also allows one to specify the lowest and low-energy conformers in the topology files for residues with rings, if this information is known. The `RingConformationMover` will by default only select ideal ring conformers from among this set. no unit test changes carbohydrates and rings integration test changes expected In addition, this merge makes the following improvements to the ring conformer system: * `RingConformationMover` should now work with RosettaScripts. * All static const `RingConformer` data that a `RingConformerSet` uses is accessed via the singleton `RingConformerManager`, so everything should now be thread-safe. * An option flag `-sample_high_energy_conformers` allows the `RingConformationMover` to do exactly that. * Unit tests for ring-related things are more robust.

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