mdachecker๏
๐๏ธ Authors: IAlibay
๐ Project home: https://github.com/IAlibay/CheckStructure/
๐ Documentation: https://github.com/IAlibay/CheckStructure/blob/main/README.md
โ๏ธ License: GPL-3.0
๐ Keywords: structure analysis, conformation checks
๐ Development status: Beta
Description:
AnalysisBase extension to check for structural clashes over the length of a trajectory
Installation instructions๏
The latest version of mdachecker can be installed using the following:
pip install git+https://github.com/IAlibay/CheckStructure@main
The source code of mdachecker can be installed using the following:
pip install git+https://github.com/IAlibay/CheckStructure@main