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wells-wood-research / de-stress

DE-STRESS is a model evaluation pipeline that aims to make protein design more reliable and accessible.
http://destressprotein.design
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Incorporating the Rosetta energy function into DE-STRESS #28

Closed MichaelJamesStam closed 3 years ago

MichaelJamesStam commented 3 years ago

A function in analysis.py needs to be added to run the Rosetta 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.

ChrisWellsWood commented 3 years ago

Before this is closed, we need to add function for exporting this data as CSV to Pages.Designs.

MichaelJamesStam commented 3 years ago

This branch has been merged now and the values have been added to the function for exporting data as CSV.