molex 0.2.1

Parse, analyze, and transform molecular structure data (PDB, mmCIF, BinaryCIF, MRC)
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30

[build-system]
requires = ["maturin>=1.7,<2.0"]
build-backend = "maturin"

[project]
name = "molex"
version = "0.2.1"
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"