PyeMap is a Python package aimed at automatic identification of electron and hole transfer pathways in proteins. It serves as the backend for the web application eMap, and can also be used as a fully functional Python package.
- Documentation: https://readthedocs.org/projects/pyemap/
- Website: https://emap.bu.edu
Pip installation will only install python dependencies, This is sufficient to run PyeMap analysis and view graph images, but some features will be missing.
pip install pyemap
For full functionality, install RDKit, Graphviz, PyGraphviz, MUSCLE, MSMS (not available on Mac OS Catalina and later), and DSSP, all of which can be downloaded free of charge from their owners, and are available on most platforms.
Please see our tutorials for single and multiple protein analysis to help get started using PyeMap. We also provide sample Jupyter notebooks in the examples directory.
Please report any bugs and make feature requests here. For issues exclusive to the web version eMap, please send an email to [email protected]. We also greatly encourage users to contribute by making pull requests on GitHub!
Released under the 3-Clause BSD license (see LICENSE).
Copyright (C) 2018-2022
James Gayvert [email protected]
Ruslan Tazhigulov [email protected]
Ksenia Bravaya [email protected]