This is a step-by-step demonstration version. The GitHub repository can be found here: https://github.com/caltechmsc/dreid-pack

1. Download the pre-compiled binaries, or manually compile the source code: https://github.com/caltechmsc/dreid-pack/releases/tag/v0.1.0
2. Recommended (Optional): Download structure visualization software: https://www.pymol.org/ (A license is required; free for high school students: https://pymol.org/edu/)
3. Download the proteins you wish to process (I have prepared 379 high-resolution crystal structures): https://github.com/caltechmsc/dreid-pack-guide/tree/main/pdbs
4. The simplest CLI run (whole protein): dpack full input.pdb output.pdb (See -h for others)
5. Visualization software (such as PyMOL) can be used to view the differences between input and output files.

v0.2.0 — New Version

Reproduce Benchmark Results with a Single Command:

1. Install Rust:

   curl --proto '=https' --tlsv1.2 -sSf https://sh.rustup.rs | sh

2. Run Benchmark:

   git clone https://github.com/caltechmsc/dreid-pack.git && cd dreid-pack
   
   cargo run -p dreid-pack-bench --release -- crates/dreid-pack-bench/data/db379

3. Obtain the same result as: https://github.com/caltechmsc/dreid-pack?tab=readme-ov-file#benchmark

If you would like more information, or if you are a developer looking to integrate this, please see: https://github.com/caltechmsc/dreid-pack

Full README