Merge pull request #2933 from RosettaCommons/sboyken/hbnet_interface_updates
Updates to HBNetStapleInterface; a couple of fixes and new options for logic used when combining multiple networks together onto a single output pose
notify author
notify list [rosetta-logs@googlegroups.com]
Merge pull request #2938 from RosettaCommons/JackMaguire/MultistageRosettaScripts
Small feature additions and bug fixes for multistage rosetta scripts:
Features:
- [x] Reverse script converter: convert a MRS script to a traditional rosetta script. Code is written but untested.
- [x] Added a more dynamic result-storing method in the NodeManager class. Not super useful now, but will be essential when (if) JD3 is able to submit jobs from node n+1 before node n is completely finished.
- [x] Added support for `<Checkpoint/>` tags to be intermixed with the `<Stage/>` tags. These do not currently do anything, but will save us time in the future.
Bug Fixes:
- [x] Each `<Add/>` call used to create a new mover/filter. This prevented us from being able to call the same mover twice (unfortunate for things like SaveAndRetrieveSidechains). Now, movers and filters can be called multiple times within the same MRSJob. I am taking this opportunity to remove the `job_bundle` Stage option because it is not that useful and really makes the code ugly.
~Upgrade the newick tree printing so that the values for the leaf nodes match the filenames created.~
- [x] Renumber the output files so that they match the newick tree
notify author
notify list [rosetta-logs@googlegroups.com]
Merge pull request #2924 from CyrusBiotechnology/for_commons/indigo/nmer_refactor
NMerSVMEnergy core::Size underrun bug (from Cyrus)
Fixes the addsan and numerical instability bugs in NMerSVMEnergy exposed by its new test.
shoutouts to @indigogo and @vmullig for commentary and assistance
shoutouts to @roccomoretti and @jaumebonet for notification.
notify author
notify list [rosetta-logs@googlegroups.com]
Merge pull request #2928 from RosettaCommons/tjbrunette/link_res_fix
fixed possu's issue with template_res the issues with the testing server seem unrelated
notify author
notify list [rosetta-logs@googlegroups.com]
Merge pull request #2921 from RosettaCommons/FFL_integration
Adding integration test for FFL and correcting the errors of the valgrid and ubsan of the FFL unit tests
notify author
notify list [rosetta-logs@googlegroups.com]