Merge pull request #2211 from RosettaCommons/aleaverfay/bugfix_chain_endings_in_pdb_reading
Bugfix in Pose construction logic
Fixing another chain-endings bug that is tripped when the Cterm of onechain (residue i) is missing some backbone atoms, AND the Nterm of the next chain
is also missing some backbone atoms, so that Rosetta won't put a Cterm at
residue i-1 nor an Nterm at i+2. As a result, a two chain PDB will get
read in as a single chain. Super simple fix for this.
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Better annotation of ligand_database_io integration test.
I can't replicate the test server changes locally, so hopefully more loging output will help track down the instability.
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Merge pull request #2224 from RosettaCommons/vmullig/fix_pdbinfo_on_helix_append
Fix issue with PDBInfo and appending helices to an existing pose with MakeBundle/BundleGridSampler
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Merge pull request #2238 from RosettaCommons/sergey/binder
Add-on to PyRosetta serialization support
- Adding binding for std::stream classes.
- Adding mapping-to-standard-name for std::stream classes.
- Adding extra bytes method for std::*stringstream classes so they could be used in Python3.
- Adding PyRosetta serialization test.
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Merge branch 'master' of github.com:RosettaCommons/main
Rocco Moretti 8 years Commit message from non-merge commit: "Checking in updated reference weights for beta_nov16. These weights were fit using a novel scheme in which both native recovery and stability ddG calcs (Kellogg set) were optimized against, however, the native recovery tests had reference weights modulated to account for non-stability-related biases in AA composition of native proteins."
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Merge pull request #2227 from RosettaCommons/vmullig/buried_apolar_area_filter
Tweaking BuriedSurfaceArea filter.
Tasks:
- [x] Add option to use all atoms, hydrophobic atoms only, or polar atoms only.
- [x] Add option.
- [x] Update parse_my_tag().
- [x] Update XSD functions.
- [x] Add to integration test.
- [x] Switch BuriedSurfaceArea filter to use same SASA calculator used by TotalSASA filter.
- [x] Update compute() function.
- [x] Use Gabe's data tables for total area calculated with hydrophobic atoms only.
- [x] Add Gabe's data tables for total area calculated with polar atoms only.
- [x] Set minimum buried area to zero.
- [x] Truth (add new option to documentation).
- [x] Fix crash bug.
- [x] Beauty (run the code beautifier).
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Merge pull request #2226 from RosettaCommons/sergey/binder
Updating fmt lib, this should fix RosettaCommons/binder#19. Updating Binder so it generate bindings for basic_stringstream.
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Merge pull request #2225 from RosettaCommons/guffysl/constraint_generator_loader_pr
Adds a data loader for ConstraintGenerator objects. They can now be specified in their own CONSTRAINT_GENERATORS block in a RosettaScript and can be passed to AddConstraints using the constraint_generators option. Also adds unit tests for several other data loaders.
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