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Overview

This PR creates a new example for inspecting a new structure and listing many of its entities and their properties.

Changes made

  • Created inspect example "list_entities"
    • Count the number of waters
    • Retrieve the names and residue codes for all covalent ligands
    • Count the number of AltLoc positions
    • Retrieve the names and chains of all polymer entities

How to test

Ensure the names and counts of all the properties are correct for multiple PDBs

  • By default, uses 1PTH (which has many of these)
  • Can edit the PDB in the code

Specific review requests

For each of the examples:

  • Are there enough comments to sufficiently describe the process?
  • Are the comments accurately describing the process?
  • Are there any anti-patterns in the examples?
  • Can the examples be more efficient?

@Simard302 Simard302 requested a review from papillot June 11, 2024 14:01
@Simard302 Simard302 requested a review from papillot June 12, 2024 20:35
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3 participants