cgkitten 0.2.0

Convert mmCIF/PDB protein structures to coarse-grained representation with Monte Carlo titration
Documentation
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[package]
edition = "2024"
name = "cgkitten"
version = "0.2.0"
authors = ["Mikael Lund <lyssky@icloud.com>"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Convert mmCIF/PDB protein structures to coarse-grained representation with Monte Carlo titration"
documentation = "https://docs.rs/cgkitten"
readme = "README.md"
keywords = [
    "bioinformatics",
    "coarse_grained",
    "titration",
    "monte_carlo",
]
categories = ["science"]
license = "Apache-2.0"
repository = "https://github.com/mlund/cgkitten"
resolver = "2"

[features]
cli = [
    "dep:clap",
    "dep:env_logger",
    "dep:indicatif",
    "dep:nu-ansi-term",
    "dep:rayon",
    "dep:rgb",
    "dep:textplots",
]
default = ["cli"]
serde = ["dep:serde"]

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

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

[dependencies.clap]
version = "4"
features = ["derive"]
optional = true

[dependencies.env_logger]
version = "0.11"
optional = true

[dependencies.indicatif]
version = "0.17"
features = ["rayon"]
optional = true

[dependencies.log]
version = "0.4"

[dependencies.nu-ansi-term]
version = "0.50"
optional = true

[dependencies.rand]
version = "0.8"

[dependencies.rayon]
version = "1"
optional = true

[dependencies.rgb]
version = "0.8"
optional = true

[dependencies.serde]
version = "1"
features = ["derive"]
optional = true

[dependencies.textplots]
version = "0.8"
optional = true