Merge pull request #3896 from RosettaCommons/tjbrunette/junc_filter
Tjbrunette/junc filter makes hbnet compatible with silent files. Also, adds bug fixes to NearNativeLoopClosure and the StructureProfile.
notify author
notify list [rosetta-logs@googlegroups.com]
Merge pull request #3900 from RosettaCommons/roccomoretti/fix_ForceDisulfidesMover
Fixes for ForceDisulfidesMover
A previous PR (#3841) actually broke the ForceDisulfidesMover (due to how the regex patterns weren't nested.) Fix that. Also, add unit tests such that we don't do that in the future.
Also, make a stab at the ability to remove disulfide bonds through the RosettaScripts interface. The current implementation is somewhat limited - it simply allows you to use the ForceDisulfidesMover to reset/remove all the existing disulfides prior to adding on the explicitly listed ones (can be used with a missing disulfides list to remove all of them).
I also added general functionality to allow people to unit test script validation for Movers (as the regex error is only caught by XSD validation, and not parse_my_tag). It works, but it's not as general as I'd like, due to the Mover special casing needed for adding the top-level element.
notify author
notify list [rosetta-logs@googlegroups.com]
Merge pull request #3885 from RosettaCommons/vmullig/add_catch_and_throw
Make the "Cannot normalize xyzVector of length() zero" error more informative.
The "Cannot normalize xyzVector of length() zero" error is a pain in the neck, because it's hard to know exactly what vector was tripping it up, and in what context. @everyday847 had the idea a while back of adding more try/catch blocks around calls to xyzVector::normalize() which would themselves re-throw after adding more information about the context to the error message, to aid debugging. This is a first pass at that.
notify author
notify list [rosetta-logs@googlegroups.com]
Merge pull request #3853 from RosettaCommons/jkleman/SciBen_mp_apps
Jkleman/sci ben mp apps
Scientific benchmark tests for
[v] mp_dock
[v] mp_relax
[v] mp_domain_assembly
[v] mp_lipid_acc
[v] mp_symdock
Julia Koehler Leman 5 years oops, I forgot to beautify. I hit the beautify button in the test, so it scheduled the test here: https://benchmark.graylab.jhu.edu/revision?branch=&id=12253
notify author
notify list [rosetta-logs@googlegroups.com]