Protein-Ligand Interaction Fingerprints


Keywords
science, chemistry, biology, drug-design, chemoinformatics, molecular-dynamics, docking, rdkit
License
Apache-2.0
Install
pip install prolif==1.1.0

Documentation

ProLIF

Documentation Documentation Status
Tutorials Try it on binder
CI Tests status codecov Code quality
Builds Conda-forge version Pypi Version Build status
Dependencies Powered by MDAnalysis Powered by 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.

You can try it out prior to any installation on Binder.

Documentation

The installation instructions, documentation and tutorials can be found online on ReadTheDocs.

Issues

If you have found a bug, please open an issue on the GitHub 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 page.

Citing ProLIF

Please refer to the citation page 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 2017-2022 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.