prolif

ProLIF

.. list-table:: :widths: 12 35

* - **Documentation**
  - |docs|
* - **CI**
  - |tests| |codecov| |codeql|
* - **Builds**
  - |conda-version| |pypi-version| |build|
* - **Dependencies**
  - |mdanalysis| |rdkit|
* - **License**
  - |license|

Description

ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular dynamics trajectories, docking simulations and experimental structures.

Documentation

The installation instructions, documentation and tutorials can be found online on ReadTheDocs <https://prolif.readthedocs.io>_.

Issues

If you have found a bug, please open an issue on the GitHub Issues <https://github.com/chemosim-lab/ProLIF/issues>_ page.

Discussion

If you have questions on how to use ProLIF, or if you want to give feedback or share ideas and new features, please head to the GitHub Discussions <https://github.com/chemosim-lab/ProLIF/discussions>_ page.

Citing ProLIF

Please refer to the citation page <https://prolif.readthedocs.io/en/latest/source/citation.html>_ on the documentation.

License

Unless otherwise noted, all files in this directory and all subdirectories are distributed under the Apache License, Version 2.0 ::

Copyright 2017-2023 Cédric BOUYSSET

Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at

    http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
See the License for the specific language governing permissions and
limitations under the License.

.. |pypi-version| image:: https://img.shields.io/pypi/v/prolif.svg :target: https://pypi.python.org/pypi/prolif :alt: Pypi Version

.. |conda-version| image:: https://img.shields.io/conda/vn/conda-forge/prolif.svg :target: https://anaconda.org/conda-forge/prolif :alt: Conda-forge version

.. |build| image:: https://github.com/chemosim-lab/ProLIF/workflows/build/badge.svg :target: https://github.com/chemosim-lab/ProLIF/actions/workflows/build.yml :alt: Build status

.. |tests| image:: https://github.com/chemosim-lab/ProLIF/workflows/tests/badge.svg?branch=master :target: https://github.com/chemosim-lab/ProLIF/actions/workflows/ci.yml :alt: Tests status

.. |codecov| image:: https://codecov.io/gh/chemosim-lab/ProLIF/branch/master/graph/badge.svg?token=2FCHV08G8A :target: https://codecov.io/gh/chemosim-lab/ProLIF

.. |docs| image:: https://readthedocs.org/projects/prolif/badge/?version=latest :target: https://prolif.readthedocs.io/ :alt: Documentation Status

.. |codeql| image:: https://github.com/chemosim-lab/ProLIF/workflows/CodeQL/badge.svg?branch=master :target: https://github.com/chemosim-lab/ProLIF/actions/workflows/codeql.yml :alt: Code quality

.. |license| image:: https://img.shields.io/pypi/l/prolif :target: http://www.apache.org/licenses/LICENSE-2.0 :alt: License

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.. |rdkit| image:: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC :alt: Powered by RDKit :target: https://www.rdkit.org/