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Interaction counts example - #13

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Simard302 wants to merge 2 commits into
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interaction-counts
Open

Interaction counts example#13
Simard302 wants to merge 2 commits into
masterfrom
interaction-counts

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Overview

This PR creates a new example for inspecting a new structure and listing the types of interactions made between a selection and the structure

Changes made

  • Created inspect example "interaction_counts"
    • Count the number of ionic, pi-stacking, hydrogen bond, etc between chain A's HETATMs and the rest of the structure

How to test

Ensure the names and counts of all the interactions are correct.

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 12, 2024 01:13
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