Releases: brennanaba/ABlooper
Releases · brennanaba/ABlooper
Update openmm refinement
Improve behaviour for edge cases (framework errors)
Update openmm refinement
Added some steps to fix chirality issues
New model added
Add a model to predict based on IMGT region definitions. The default model is still the one based on Chothia loops described in the paper
Paper Version
Fix a bug with tempfile creation for Windows users
Paper Version
Added a warning if we suspect the input structure is not an IMGT numbered Antibody.
Paper version
OpenMM will occasionally (around 5 times in 1000) crash when relaxing loops. Rerunning the relaxation step appears to fix this.
This update makes openmm try again a few times if it crashes.
Paper Version
PDB files were being truncated when stored as tempfiles. Should be fixed now
Paper Version
Added flag for Rosetta refinement
Paper Version
Reverting change for backwards compatibility
Paper Version
Fixed some small bugs