「view this page in B3 βῆτα server」

Revisions №60297

branch: master 「№60297」
Commited by: Labonte
GitHub commit link: 「c869d56abb713ec2」 「№3260」
Difference from previous tested commit:  code diff
Commit date: 2018-07-09 18:12:08

Merge pull request #3260 from RosettaCommons/JWLabonte/sugars/sampling Carbohydrates: Adding RingPlaneFlipMover This merge will introduce a new pyranose-specific Mover that will flip an appropriate ring 180 degrees about its anomeric bond with a counter move (similar to how shear moves work) at an equatorial bond at the opposite position on the ring. This move can thus only occur for 4-linked aldopyranose or 5-linked ketopyranose residues, but most natural sugars are aldopyranoses, and the 4-linkage is common. It is expected that this Mover will help sample in cases where a oligo- or poly-saccharide is "stuck" with its ring plane in the wrong orientation, with substituents trapped on the wrong side of the ring. All tests pass.

Vikram K. Mulligan 1 year
Note that there's no reason that this merge should have fixed the unit test that was failing. Andy, when you get the chance, could you take a look at the Stepwise unit tests? (See the linux.srlz unit tests from the previous revision.) [list]
...