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Incorporating the Rosetta energy function into DE-STRESS #28

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MichaelJamesStam opened this issue Feb 15, 2021 · 2 comments · Fixed by #41
Closed

Incorporating the Rosetta energy function into DE-STRESS #28

MichaelJamesStam opened this issue Feb 15, 2021 · 2 comments · Fixed by #41
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@MichaelJamesStam
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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
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Before this is closed, we need to add function for exporting this data as CSV to Pages.Designs.

@MichaelJamesStam MichaelJamesStam linked a pull request Feb 26, 2021 that will close this issue
@MichaelJamesStam
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This branch has been merged now and the values have been added to the function for exporting data as CSV.

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