Problem Statement
Rosetta supports computing useful metrics such as number of hydrogen bonds, as done for example in BindCraft https://github.com/martinpacesa/BindCraft/blob/main/functions/pyrosetta_utils.py
Proposed Solution
It would be useful to integrate more scoring methods into our xml: https://github.com/MSDLLCpapers/ovo/blob/develop/ovo/pipelines/pyrosetta-interface-metrics/bin/interface_metrics_rfdesign.xml
These should then be added to the Descriptor section here https://github.com/MSDLLCpapers/ovo/blob/develop/ovo/core/database/descriptors_rfdiffusion.py#L178
Alternatives Considered
No response
Problem Statement
Rosetta supports computing useful metrics such as number of hydrogen bonds, as done for example in BindCraft https://github.com/martinpacesa/BindCraft/blob/main/functions/pyrosetta_utils.py
Proposed Solution
It would be useful to integrate more scoring methods into our xml: https://github.com/MSDLLCpapers/ovo/blob/develop/ovo/pipelines/pyrosetta-interface-metrics/bin/interface_metrics_rfdesign.xml
These should then be added to the Descriptor section here https://github.com/MSDLLCpapers/ovo/blob/develop/ovo/core/database/descriptors_rfdiffusion.py#L178
Alternatives Considered
No response