[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