README.md

MDbrew

mdbrew is a package for postprocessing of molecular dynamics simulation
Supported Format : [".xyz", "XDATCAR", ".pdb", ".gro", ".trr", ".gro]

• VERSION : (2.5.3)

How to install

pip install mdbrew

Example Code For Brewery

Example - Load the file

import mdbrew as mdb
file_path = "somewhere"
mb= mdb.Brewery(path=file_path, fmt="xyz")

Further Information

MANUAL_PAGES