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.
A Rust library for NERF-based sidechain coordinate placement for 29 amino acid types; build.rs bakes all bond geometry as f32 literals, custom libm-free sincosf/rsqrtf, #[repr(C)] stack-only output, zero heap, no-std.
Voronota-LT is an alternative version of Voronota for constructing tessellation-derived atomic contact areas and volumes.
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