A function in analysis.py needs to be added to run the DFIRE2 energy function on pdb files.
An object needs to be added to elm_types.py and big_structure_models.py.
The schema.py needs to be updated and create_entry.py.
Finally, Metrics.elm and Uuid_String.elm need to be updated to display the energy values.
A function in analysis.py needs to be added to run the DFIRE2 energy function on pdb files. An object needs to be added to elm_types.py and big_structure_models.py. The schema.py needs to be updated and create_entry.py. Finally, Metrics.elm and Uuid_String.elm need to be updated to display the energy values.