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Revisions №61818

branch: master 「№61818」
Commited by: Vikram K. Mulligan
GitHub commit link: 「4ff291ed8257ec2d」 「№5769」
Difference from previous tested commit:  code diff
Commit date: 2021-12-16 00:25:15
scientific.fragments_picking.debug scientific.mp_f19_decoy_discrimination.debug scientific.peptide_pnear_vs_ic50 scientific.sb_talaris13_relax_fast

Merge pull request #5769 from RosettaCommons/vmullig/generalize_virtual_residue Generalize the virtual residue patch. Currently, the protein virtual residue patch is special-cased for each amino acid type, and doesn't support terminal types. This is silly. We have a `VIRTUALIZE_ALL` `PatchOperation` (which is used for RNA); we might as well use it for everything. Tasks: - [x] Switch patch to use `VIRTUALIZE_ALL`. - [x] Rename patch from `VirtualProteinResidue` to `VirtualResidue`. - [x] Ensure the `VIRTUALIZE_ALL` `PatchOperation` also zeros the net formal charge. - [x] Unit test to confirm that this lets us virtualize all residues in a pose.

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Test: linux.clang.scientific.fragments_picking.debug

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Test: linux.clang.scientific.mp_f19_decoy_discrimination.debug

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Test: linux.gcc.cxx11thread.mpi.serialization.scientific.peptide_pnear_vs_ic50

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Test: linux.clang.scientific.sb_talaris13_relax_fast

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