Merge pull request #1784 from RosettaCommons/jadolfbr/sugars/omega_sugar_bb
GlycanRelax upgrades
This PR adds the following:
- [x] Phi SugarBB sampling for exocyclic carbons in GlycanRelax using @JWLabonte 's Implementation of this in the sugar_bb energy term (from PR #1635)
- [x] Enable Omega sampling from OmegaPreferencesFunction (from PR #1635) in a similar manner to what we are doing for the ChiEnergyFunction. Integrate this new sampling ability into GlycanRelax as another BB torsional selection of the BBDihedralSamplerMover.
- [x] Enable CartMin in GlycanRelax. For both cmd-line and RS, the boolean option is _cartmin_
- [x] Integrate GlycanTree-based sampling for minimization and packing into GlycanRelax
- Write _GlycanTreeMinMover_ and _RandomGlycanFoliageSelector_
- This is a subclass of the MinMover which uses the _RandomGlcyanFoliageSelector_ select a random residue from it, and then select the rest of the downstream branch (which is also ON in the movemap/task). Integrate this for Minimization and Packing.
- This will make GlycanRelax speed increase linearly with the number of glycan residues instead of non-linearly as is the case now.
- This will be an option that is on by default, as this enables more efficient sampling of large forests of glycans instead of wasting a great amount of time minimizing and packing ALL of the glycans as was the default.
@JWLabonte @raemisch