Metadata-Version: 2.2
Name: resmo
Version: 0.0.2
Summary: Residue modifications for protein structures.
Author-email: Joschka Groß <jgross@cs.uni-saarland.de>
Project-URL: Repository, https://github.com/volkamerlab/mare
Keywords: python
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: <4.0,>=3.9
Description-Content-Type: text/markdown
Requires-Dist: biopandas>=0.5.1
Requires-Dist: pydantic>=2.10.5
Requires-Dist: typer>=0.15.1

# residue-modifications

[![Release](https://img.shields.io/github/v/release/joschka-gross/residue-modifications)](https://img.shields.io/github/v/release/joschka-gross/residue-modifications)
[![Build status](https://img.shields.io/github/actions/workflow/status/joschka-gross/residue-modifications/main.yml?branch=main)](https://github.com/joschka-gross/residue-modifications/actions/workflows/main.yml?query=branch%3Amain)
[![codecov](https://codecov.io/gh/joschka-gross/residue-modifications/branch/main/graph/badge.svg)](https://codecov.io/gh/joschka-gross/residue-modifications)
[![Commit activity](https://img.shields.io/github/commit-activity/m/joschka-gross/residue-modifications)](https://img.shields.io/github/commit-activity/m/joschka-gross/residue-modifications)
[![License](https://img.shields.io/github/license/joschka-gross/residue-modifications)](https://img.shields.io/github/license/joschka-gross/residue-modifications)

This is a template repository for Python projects that use uv for their dependency management.

- **Github repository**: <https://github.com/joschka-gross/residue-modifications/>
- **Documentation** <https://joschka-gross.github.io/residue-modifications/>

## Getting started with your project

### 1. Create a New Repository

First, create a repository on GitHub with the same name as this project, and then run the following commands:

```bash
git init -b main
git add .
git commit -m "init commit"
git remote add origin git@github.com:joschka-gross/residue-modifications.git
git push -u origin main
```

### 2. Set Up Your Development Environment

Then, install the environment and the pre-commit hooks with

```bash
make install
```

This will also generate your `uv.lock` file

### 3. Run the pre-commit hooks

Initially, the CI/CD pipeline might be failing due to formatting issues. To resolve those run:

```bash
uv run pre-commit run -a
```

### 4. Commit the changes

Lastly, commit the changes made by the two steps above to your repository.

```bash
git add .
git commit -m 'Fix formatting issues'
git push origin main
```

You are now ready to start development on your project!
The CI/CD pipeline will be triggered when you open a pull request, merge to main, or when you create a new release.

To finalize the set-up for publishing to PyPI, see [here](https://fpgmaas.github.io/cookiecutter-uv/features/publishing/#set-up-for-pypi).
For activating the automatic documentation with MkDocs, see [here](https://fpgmaas.github.io/cookiecutter-uv/features/mkdocs/#enabling-the-documentation-on-github).
To enable the code coverage reports, see [here](https://fpgmaas.github.io/cookiecutter-uv/features/codecov/).

## Releasing a new version



---

Repository initiated with [fpgmaas/cookiecutter-uv](https://github.com/fpgmaas/cookiecutter-uv).
