Pore Generator for Molecular Simulations.
Project description
PoreMS: Pore Generator for Molecular Simulations
Documentation
Online documentation is available at ajax23.github.io/porems.
The docs include an example for generating molecules and pores, and an API reference. Additionally a worklow is provided, describing the programs operating principle.
Dependencies
PoreMS supports Python 3.5+.
Installation requires multiprocessing and optionally pandas.
Installation
The latest stable release (and older versions) can be installed from PyPI:
pip install porems
You may instead want to use the development version from Github:
pip install git+https://github.com/ajax23/porems.git#egg=porems
Or download the repository and install in the top directory via:
pip install .
Testing
To test porems, run the test in the test directory.
Development
PoreMS development takes place on Github: https://github.com/Ajax23/PoreMS
Please submit any reproducible bugs you encounter to the issue tracker.
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