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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

added example to sphere.rs #89

Closed DocKDE closed 2 years ago

DocKDE commented 2 years ago

I added a slightly more example that shows how to identify close contacts or clashes in PDB files.

douweschulte commented 2 years ago

Nice!