Metadata-Version: 2.4
Name: pepNmemb
Version: 0.0.1
Summary: A python package to analyse molecular dynamics simulations of peptides in/with membranes.
Author: Miruna S
License: BSD-3
Project-URL: repository, https://github.com/miruuna/pepNmemb
Project-URL: documentation, https://github.com/miruuna/pepNmemb
Project-URL: changelog, https://github.com/miruuna/pepNmemb/CHANGELOG.md
Keywords: pepNmemb
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3
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: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering
Classifier: Operating System :: Microsoft :: Windows
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: scikit-spatial
Requires-Dist: biopython
Requires-Dist: matplotlib
Requires-Dist: MDAnalysis
Requires-Dist: networkx
Requires-Dist: pandas
Requires-Dist: scikit-learn
Requires-Dist: scipy
Requires-Dist: tqdm
Requires-Dist: seaborn
Provides-Extra: dev
Requires-Dist: pytest>=7.4.0; extra == "dev"
Requires-Dist: pytest-cov>=3.0.0; extra == "dev"
Requires-Dist: ruff>=0.0.285; extra == "dev"
Provides-Extra: docs
Requires-Dist: mkdocs-material>=9.4.0; extra == "docs"
Requires-Dist: mkdocstrings[python]>=0.22.0; extra == "docs"
Requires-Dist: mkdocs-gen-files>=0.5.0; extra == "docs"
Requires-Dist: mkdocs-literate-nav>=0.6.0; extra == "docs"
Requires-Dist: pillow>=10.0.0; extra == "docs"
Requires-Dist: cairosvg>=2.7.1; extra == "docs"
Dynamic: license-file

# pepNmemb

*pepNmemb* allows you to analyse the interactions of peptides with bacterial membranes from molecular dynamics simulations.

Current functionalities:
- calculate peptide insertion into the membrane over time
- hydrogen bonds with the membrane and other peptides
- inter-peptide interactions
- peptide tilt angle
- membrane lipid apl

