A genetic algorithm tool to mutate protein structures based on Richardson's Rotamer library and to fitness evaluations
Please cite the following work if you use and modify EVOLVE to add your own evaluators.
EVOLVE citation
These instructions will get you a copy of the project up and running on your local machine.
EVOLVE is python3 based and depends on the following packages
pygmo
amber18
openmm
openbabel
A step by step series of examples that tell you how to get a development env running
tbc
Please find detailed instructions on the different functions of the code, how to implement a new evaluator and a detailed instructions to run the tests in the Documentation
Please read CONTRIBUTING.md for details on our code of conduct, and the process for submitting pull requests to us.
- Nicholas J. Browning - code development, mutation modules, stability indicator
- Justin Villard - amber gpgg
- Marta Gomez - Initial thermostability code -
- Simon L. Duerr - Multi-objective optimization routines, tools for enyzme design, code development
- Ursula Roethlisberger - Prinicipal investigator
See also the list of contributors who participated in this project.
This project is licensed under the GPL v3 License - see the LICENSE.md file for details