dreid-pack 0.2.0

A high-performance, pure Rust library and CLI for full-atom protein side-chain packing using the DREIDING force field, Goldstein+Split DEE, and tree-decomposition DP—with native protein-ligand and protein-nucleic acid interface support.
Documentation
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mod config;
mod constant;
mod energy;
mod model;
mod phase;
mod progress;

pub use config::PackConfig;
pub use phase::pack;
pub use progress::Progress;