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douweschulte / pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
https://crates.io/crates/pdbtbx
MIT License
49 stars 12 forks source link

add `chains_in_contact` #116

Closed rvhonorato closed 10 months ago

rvhonorato commented 10 months ago

Following #115, this PR adds the chains_in_contact utilities. I'm not very familiar with this project and definitively not proficient in rust, so any feedback is welcomed (:

rvhonorato commented 10 months ago

Thanks! Feel free to merge it