Merge pull request #4527 from RosettaCommons/vmullig/disable_multithreading_unless_turned_on
Changing default thread count for the RosettaThreadManager to 1.
Users must turn ON multi-threading by specifying a value different than 1. There seemed to be consensus among those using multi-threading that the current default (using all available processors) wasn't ideal. The option of using all processors still exists, but this PR makes it no longer the default.
This was a change made in the vmullig/multithreaded_scoring2 branch (PR #4342), but since that branch is taking a while to optimize, I'm cherry-picking this into its own PR.
@javierbq @lyskov @asford @weitzner
TODO:
- [x] Double-check whether any tests need to be updated for this change. They probably do. --> They seem fine.
- [x] Update documentation.
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Merge pull request #4539 from RosettaCommons/vmullig/fix_galigandock_parse
Fix parsing of "sample_ring_conformers" option in GALigandDock. This was being parsed as a Real rather than as a bool.
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Merge pull request #4535 from RosettaCommons/vmullig/float_not_int
Allow Rotate mover to accept floats for the number of degrees, rather than ints.
For some reason, the Rotate mover was set to take an integer for the rotation in degrees rather than a float. Fixing this.
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Merge pull request #4069 from RosettaCommons/JWLabonte/PTMs/parsing
EnzymaticMovers: Adding parsing of nucleic acid sequences to the EnzymaticMover system
This merge allows the EnzymeManager to parse nucleic acid sequons, allowing for EnzymaticMovers that simulate such enzymes as DNA methyltransferases.
This merge will also add a VARIANT_OF record type for .params files such that one can specify the base ResidueType of a VariantType that is defined by a .params file instead of by a patch file, as is typical.
thanks to @everyday847 for teaching me the 1-letter NA code
thanks to @roccomoretti for the code review
All tests pass.
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Merge pull request #4497 from RosettaCommons/JWLabonte/PTMs/EnzymaticMovers
EnzymaticMovers: Adding NTerminalAcetyltransferaseMover
This merge will add an EnzymaticMover for N-terminal acetylation.
All tests pass.
Thanks to Xiyao Long for reviewing. (Are you new to Rosetta coding? You should review a pull request too. :) )
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Merge pull request #4518 from RosettaCommons/smlewis/template_prot_8
Update generate_templates.py Updating to account for protocols.8 change, credit to @marzolf-daniel for spotting it
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Merge pull request #4039 from RosettaCommons/JWLabonte/PTMs/OGT
PTMs: a more strict consensus for OGT
This merge makes the sequon for human OGT more specific.
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Merge pull request #4508 from RosettaCommons/roccomoretti/more_diagnostics_for_venv_tests
Save diagnostic information for VirtualEnv-using integration tests.
We're seeing some issues with drrafter_setup_real_test_H_no_init in the ubsan tests. It looks like the issue is happening during the VirtualEnv setup. Attempt to save the logging/error information from the virtual env setup steps. (But don't diff on it.)
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