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The official repo of the new modular BioExcel2 version of HADDOCK

Home Page: https://www.bonvinlab.org/software/haddock3

License: Apache License 2.0

Python 98.64% Prolog 1.36%

haddock3's Introduction

WARNING: The main branch is not production-ready

The main branch is a prototype of newly refined architecture and it does not yet contain the functionalities we have reported previously. For a running version of HADDOCK3 please refer to the alpha1 or the release page. However, we won't develop alpha1 further. Stay tuned for new updates on the main branch as we are actively working on it. Cheers!

HADDOCK3

1. Installation

To install HADDOCK3 follow the instructions in the INSTALL file.

2. Examples

2.1. Basic scoring of an ensemble of 5 structures:

cd examples/recipes/scoring/
haddock3 scoring.toml

3. Contribute

If you want to contribute to HADDOCK3's development, read the CONTRIBUTING file for instructions.

haddock3's People

Contributors

joaomcteixeira avatar rvhonorato avatar brianjimenez avatar amjjbonvin avatar sschott avatar

Stargazers

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