Installation

Requirements

wechrom requires the following python libraries:

• openmm <= 7.5

• numpy

• pandas

• MDAnalysis

• setuptools

• tqdm

To install openmm, you may refer to the openmm installation guide.

Install with pip

$ pip install wechrom

Install from source

Download the source code from

$ git clone https://github.com/VickyLu001/wechrom.git

Then you can install the package by

$ python ./wechrom/setup.py install

or install it in develop mode

$ pip install -e ./wechrom