🟥 Maintance on GitHub is stopped and all code moves to Codeberg 🟥

👉 Code from this repository obtained from GitHub is not licensed and no longer legal to use.

👉 New repo https://codeberg.org/sail.black/dylightful

🟥 Maintance on GitHub is stopped and all code moves to Codeberg 🟥

👉 Code from this repository obtained from GitHub is not licensed and no longer legal to use.

👉 New repo https://codeberg.org/sail.black/dylightful

Package to develop Markov Analysis of Dynophores

This package aims to make the analysis of interaction patterns in supramolecular complexes more easy. It builds on the concepts of pharmaceutical sciences, computational chemistry, quantum mechanics, statistical modelling, and artificial intelligence. Core dependencies are

• MDAnalysis
• Deeptime
• Dynophores
• scikit-learn
• hmmlearn
• numpy
• pandas

Install

To install the necessary packages it is recommended to use the 'conda' package manager. However, all packages can also be installed via the requirements.txt

pip install -r requirements.txt

Convert Dynophore trajectory

use parser.py