Merge pull request #2014 from RosettaCommons/xingjiepan/local_backbone_mover
LocalBackboneMover changes the conformation of backbones between two selected pivot residues. The conformational change is confined within residues between pivot1 - 1 and pivot2 + 1.
Residues between the two selected pivots are called a FreePeptide. Currently 4 FreePeptideMovers which alter backbone conformations are implemented:
TranslationFreePeptideMover translates the FreePeptide.
LongAxisRotationFreePeptideMover rotates the FreePeptide along the axis from its first Ca to its last Ca.
ShearFreePeptideMover does a shear move on a residue of the FreePeptide.
CircularPermuteFreePeptideMover does a circular permutation on the backbone torsions of the FreePeptide.
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Merge pull request #2008 from RosettaCommons/dougrenfrew/convert_cpp_style_mpi_bindings_to_c_style
Dougrenfrew/convert cpp style mpi bindings to c style
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Merge pull request #1797 from RosettaCommons/roccomoretti/select_columns
Add columns selection script.
Add a simple script that obviates the need to write ad-hoc awk scripts to select out particular columns from Rosetta score files.
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Merge pull request #2001 from RosettaCommons/basantab/SecondaryStructureFilter_add_treatLasD
Added a new option for this filter: treat_L_as_D, for cases where a blueprint is being used as reference and loops are being detected as H or E by DSSP. Also, created an integration test for this filter. All integration tests are woking as expected.
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Merge pull request #1996 from RosettaCommons/rhiju/towards_better_loop_close
printing out nucleotide-to-nucleotide jump info in rna fragment assembly
only test changes were broken before.
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Merge pull request #1983 from RosettaCommons/roccomoretti/update_sqlite
Update SQLite code to the most recent version: 3.16.2
The version of SQLite we had in external (3.7.4) has a number of issues which are detected by the Undefined Behavior Sanitizer (ubsan) tests. Taking a closer look, this looked to definitely be a deficiency in SQLite 3.7.4, rather than how we were using it. Updating to the most recent SQLite version appears to fix these issues.
Some small changes were needed in the SandwichFeatures code to properly order results -- SQL does not require that results be in any particular order, but SandwichFeatures was taking advantage of the fact that SQLite 3.7.4 (but not 3.16.2) ordered the results in a consistent manner.
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Merge pull request #1991 from RosettaCommons/roccomoretti/pdbrotamers_empty_check
Add error checking to PDB_ROTAMERS loading.
If the file exists, but contains junk, pop up an error instead of crashing with a divide by zero crash.
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