「view this page in B3 βῆτα server」

Revisions №57925

branch: master 「№57925」
Commited by: Labonte
GitHub commit link: 「3a00193cdb743d37」
Difference from previous tested commit:  code diff
Commit date: 2015-06-19 08:01:57

Branching: Various updates to branching/chemical conjugation: Part A This is a merging in of Part A of Pull Request #459 NEWS: This merge... * Adds a new TorsionType for branch connection torsions, which are located at CHEMICAL EDGEs of the FoldTree. * Adds a new BRANCH TorsionType to MoveMap. * Adds the ability to get or set a torsion angle in the AtomTree by TorsionID containing a BRANCH TorsionType. * Allows the minimizer functionality to minimize TorsionIDs containing BRANCH TorsionTypes if permitted by MoveMap. * Has Rosetta automatically set up a FoldTree in the reverse direction for ubiquitin on load-in from a PDB file without resorting to Movers by using LINK records (as wanted by @hajosep). * Has Rosetta ignore LINK records defining sugar main chains that Rosetta could figure out on its own anyway (as wanted by @fdimaio for easier loading of glycoproteins for crystal refinement). * Automatically sets angle and bond constraints for chemical conjugation based on LINK records. @everyday847 also contributed to this branch. I am keeping the pull request open, as not all desired/related tasks are completed. ---------------------------------------- Unit test status: Pass Integration test status: 20 changed tests carbohydrates: expected c_term_conjugation: new 18 other tests: output modifications regarding branches or the MoveMap

...