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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.

Project details


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Files for porems, version 0.1.0
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Filename, size porems-0.1.0.tar.gz (39.8 kB) File type Source Python version None Upload date Hashes View hashes

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