dunbrack 0.1.0

A zero-cost Rust interface to the Dunbrack 2010 rotamer library with O(1) allocation-free lookups, bilinear interpolation, and compile-time embedded static tables for protein side-chain packing.
Documentation 
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# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO
#
# When uploading crates to the registry Cargo will automatically
# "normalize" Cargo.toml files for maximal compatibility
# with all versions of Cargo and also rewrite `path` dependencies
# to registry (e.g., crates.io) dependencies.
#
# If you are reading this file be aware that the original Cargo.toml
# will likely look very different (and much more reasonable).
# See Cargo.toml.orig for the original contents.

[package]
edition = "2024"
name = "dunbrack"
version = "0.1.0"
authors = ["Tony Kan <tianchengkan@gmail.com>"]
build = "build.rs"
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "A zero-cost Rust interface to the Dunbrack 2010 rotamer library with O(1) allocation-free lookups, bilinear interpolation, and compile-time embedded static tables for protein side-chain packing."
readme = "README.md"
keywords = [
    "biology",
    "bioinformatics",
    "protein",
    "no-std",
]
categories = [
    "science::computational-biology::structural-modeling",
    "no-std",
]
license = "MIT"
repository = "https://github.com/TKanX/dunbrack"

[lib]
name = "dunbrack"
path = "src/lib.rs"

[[test]]
name = "accuracy"
path = "tests/accuracy.rs"

[[test]]
name = "coverage"
path = "tests/coverage.rs"

[[test]]
name = "interpolation"
path = "tests/interpolation.rs"

[[bench]]
name = "rotamers"
path = "benches/rotamers.rs"
harness = false

[dev-dependencies.approx]
version = "0.5.1"

[dev-dependencies.criterion]
version = "0.5.1"

[dev-dependencies.csv]
version = "1.4.0"

[dev-dependencies.paste]
version = "1.0.15"

[dev-dependencies.proptest]
version = "1.10.0"

[build-dependencies.csv]
version = "1.4.0"

[profile.release]
opt-level = 3
lto = true
codegen-units = 1
strip = true