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Refactor granularity kwarg in protein.process_dataframe #28

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ericmjl opened this issue Dec 30, 2020 · 0 comments
Open

Refactor granularity kwarg in protein.process_dataframe #28

ericmjl opened this issue Dec 30, 2020 · 0 comments

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@ericmjl
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ericmjl commented Dec 30, 2020

I think you're right about granularity - it's doing too much. The idea is to have control over:

  1. What the nodes are in a residue graph (e.g. a-Carbon "CA", b-Carbon "CB")
  2. Whether to use that atom position or compute residue centroids
  3. Whether or not to build a residue-graph as above or an atom-graph

Originally posted by @a-r-j in #27 (comment)

Refactoring out this little piece of the function will probably help with longer-term maintenance.
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