A Domain Specific Language for Deep Molecular Interaction Analysis. Warning this is still a prototype/MVP with minimum feature.

First create a new environment using Conda, make sure it is using Python 3.10 as currently Deemian only tested on Python 3.10.

conda create -n deemian-prototype python=3.10

Then download the current snapshot of this repository in zip format. Extract this zip file in your local computer and enter the deemian-main directory, activate deemian-prototype environment, and install using pip.

cd deemian-main
conda activate deemian-prototype
pip install .

• TODO

Interested in contributing? Check out the contributing guidelines. Please note that this project is released with a Code of Conduct. By contributing to this project, you agree to abide by its terms.

deemian was created by Muhammad Radifar. It is licensed under the terms of the Apache License 2.0 license.

deemian was created with cookiecutter and the py-pkgs-cookiecutter template.

The test data include the PDB data retrieved from RCSB.org under the CC0 1.0 Universal (CC0 1.0) Public Domain Dedication license. The PDBs being used are as follows

• 1ZNM: Viles, John H., et al. "Design, synthesis and structure of a zinc finger with an artificial β-turn." Journal of molecular biology 279.4 (1998): 973-986. https://doi.org/10.1006/jmbi.1998.1764