rust-sasa 0.9.0

RustSASA is a Rust library for computing the absolute solvent accessible surface area (ASA/SASA) of each atom in a given protein structure using the Shrake-Rupley algorithm.
Documentation 
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[[bench]]
harness = false
name = "sasa_benchmarks"
path = "benches/sasa_benchmarks.rs"

[[bin]]
name = "rust-sasa"
path = "src/main.rs"
required-features = ["cli"]

[dependencies.clap]
features = ["derive"]
optional = true
version = "4.5.53"

[dependencies.fnv]
version = "1.0.3"

[dependencies.indicatif]
optional = true
version = "0.18.3"

[dependencies.mimalloc]
default-features = false
optional = true
version = "0.1.48"

[dependencies.pdbtbx]
version = "0.12.0"

[dependencies.pulp]
version = "0.22.2"

[dependencies.quick-xml]
features = ["serialize"]
optional = true
version = "0.38.4"

[dependencies.rayon]
version = "1.11.0"

[dependencies.serde]
optional = true
version = "1.0.228"

[dependencies.serde_json]
optional = true
version = "1.0.146"

[dependencies.snafu]
version = "0.8.9"

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

[dev-dependencies.assert_cmd]
version = "2.0.14"

[dev-dependencies.criterion]
version = "0.7.0"

[dev-dependencies.escargot]
version = "0.5.15"

[dev-dependencies.quick-xml]
features = ["serialize"]
version = "0.38.4"

[dev-dependencies.serde]
features = ["derive"]
version = "1.0"

[dev-dependencies.serde_json]
version = "1.0"

[features]
cli = ["dep:clap", "dep:indicatif", "dep:mimalloc", "serde_json", "quick-xml", "serde"]
default = []

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

[package]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = false
categories = ["science"]
description = "RustSASA is a Rust library for computing the absolute solvent accessible surface area (ASA/SASA) of each atom in a given protein structure using the Shrake-Rupley algorithm."
documentation = "https://docs.rs/rust-sasa/latest/rust_sasa/"
edition = "2024"
exclude = ["paper/", "tests/data"]
keywords = ["Rust", "Bioinformatics", "SASA"]
license = "MIT"
name = "rust-sasa"
readme = "README.md"
repository = "https://github.com/maxall41/RustSASA"
rust-version = "1.85.0"
version = "0.9.0"

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

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

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

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

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