[build-system]
requires = ["maturin>=1.7,<2.0"]
build-backend = "maturin"
[project]
name = "molex"
version = "0.2.2"
description = "Parse, analyze, and transform molecular structure data (PDB, mmCIF, BinaryCIF, MRC)"
readme = "README.md"
requires-python = ">=3.8"
license = { text = "MIT" }
authors = [{ name = "Andreas Petrides" }]
keywords = [
"protein",
"molecular",
"pdb",
"mmcif",
"structure",
"bioinformatics",
]
classifiers = [
"Development Status :: 3 - Alpha",
"Intended Audience :: Science/Research",
"Topic :: Scientific/Engineering :: Bio-Informatics",
"Topic :: Scientific/Engineering :: Chemistry",
]
[project.urls]
Repository = "https://github.com/petridecus/molex"
Documentation = "https://petridecus.github.io/molex/"
[tool.maturin]
features = ["pyo3/extension-module", "python"]
bindings = "pyo3"
module-name = "molex"