RosettaCommons / RosettaCommons/atomworks
IO examples improvements
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@rclune is already working on this.
Since Oct 23, 2025.
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- Python
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Description
- Give more explanations of what is being printed out - are the numbers expected? What do these categories mean, etc.
- When functions are referenced link to the API docs for that function when possible
- Use examples that show off what is being explained: In the 'Loading and Visualizing Protein Structures' example choose something that shows that asymmetric units and biological assemblies are different
- Use examples that show off what is being explained: In the 'Structure Manipulation Basics' example the Ligand Info output I obtained was
Ligand info: {'ligand_of_interest': [], 'has_ligand_of_interest': False}which is not the most exciting - For the 'Annotating and Saving Protein Structures' example, link to biotite's cell list documentation
- Add information about how to save the objects that are being visualized with the 'view' function so that if users are working on a cluster they have a way of visualizing their items locally.
- For the 'Annotating and Saving Protein Structures' example, Why is a temp directory needed when saving the CIF file?
- For the 'Annotating and Saving Protein Structures' example, Pickling example would be nice (or a link to an example in some other documentation.)
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