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Add functionalities related to aromatic rings #751

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This PR adds the find_aromatic_rings() and find_stacking_interactions() functions to biotite.structure, that can be used to identify atoms that are part of aromatic rings and find pi-stacking interactions between them, respectively.

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codspeed-hq bot commented Feb 11, 2025

CodSpeed Performance Report

Merging #751 will not alter performance

Comparing padix-key:rings (99f3bd9) with main (d7df095)

Summary

✅ 59 untouched benchmarks

@Croydon-Brixton
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Just fyi: This might be of interest to look at here: https://prolif.readthedocs.io/en/stable/

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Thanks, I also stumbled upon it during my research and adapted the cutoff distance from it.

@padix-key padix-key marked this pull request as ready for review February 13, 2025 17:26
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