Using pip from PyPi

Install the mooonpy package (or add it to your requirements.txt file):

$ pip install mooonpy

Note

This is a place holder until mooonpy gets published to PyPi, so pip install mooonpy will not work!

Using pip locally

Install the mooonpy package locally in mooonpy/src/ directory:

Example Directory:

mooonpy$ pwd
GitHub/mooonpy

mooonpy$ ls
mooonpy

mooonpy$ tree -L 1
.
├── LICENCE
├── README.md
├── doc_testing.txt
├── docs
├── examples
├── pyproject.toml
├── src
└── tests

Windows OS:

$ python -m pip install -e .

Anaconda PowerShell:

$ pip install -e .

Note

Support for conda and Linux pip still not supported!

Dependency List

Mooonpy has numerous required dependencies. The following lists them all (as of July 2025).

  • Required Python package build time:

    1. pip

  • Required Sphinx documentation build time:

    1. sphinx

    2. sphinx_rtd_theme

    3. ghp-import

    4. matplotlib

  • Required run time:

    1. numpy

    2. scipy

    3. matplotlib

Simple Python example

import mooonpy

molecule = mooonpy.molspace('detda.mol2')
molecule.atoms.shift(x=5, y=10, z=30)