pyproject.toml

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"
[project]
name = "PoseButcher"
version = "0.0.22"
authors = [
    { name="Max Winokan", email="max@winokan.com"},
]
description = "A tool for categorising and segmenting virtual hits with reference to experimental protein structures and (fragment) hits."
readme = "README.md"
requires-python = ">=3.9"
requires = []
classifiers = [
    "Programming Language :: Python :: 3",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent",
]
dependencies = [
    "MPyTools >= 0.0.9",
    "MolParse >= 0.0.18",
    "ase",
    "rdkit",
    "py3Dmol",
    "IPython",
    "open3d >= 0.18",
    "numpy",
    "jupyterlab",
    "pandas",
    "pygamer",
]
[project.urls]
"Homepage" = "https://github.com/mwinokan/PoseButcher"
"Bug Tracker" = "https://github.com/mwinokan/PoseButcher/issues"
[tool.hatch.build]
include = [
  "posebutcher/*.py",
]