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Revisions №56927

branch: master 「№56927」
Commited by: jadolfbr
GitHub commit link: 「3f720b61057420fd」
Difference from previous tested commit:  code diff
Commit date: 2014-06-11 16:55:04

Refactor GraftMover classes Refactor GraftMoverBase, AnchoredGraftMover, and utility functions in protocols/grafting to be more extendable. Separate logic for cartesian-space fixed insert protocol into its own class, CCDEndsGraftMover. This logic of this GraftMover's apply is as follows (Based off of AnchoredGraftMover): /// 1) superimposes the insert onto the scaffold using any overhang residues, /// 2) Inserts the pose piece into the scaffold pose, deleting any overhang residues. /// 3) Cycles of: /// a) SmallMover for sampling (Can be disabled)) /// b) CCD of both terminal ends of the scaffold using flexibility settings or movemap /// to close the graft. /// c) MinMover to help close the graft through chainbreak terms /// d) Closure check - will return if closed (Can be disabled) /// d) MonteCarlo Boltzmann criterion /// /// 4) Repack flexible residues, insert residues, and neighbors (can be disabled) Make smooth centroid scoreterms default in both classes Have AnchoredPDBCreator use dfpmin_armijo_nonmonotone mintype Update unit tests, add unit test for RestrictToMoveMapChiOperation. Rename two antibody design movers ---------------------------------------- Integration test status: [ 2 ] AnchoredPDBCreator: Will fail from change in mintype and centroid scorefxn antibody_designer: Will fail from a number of changes, but this is fine.

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