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The Python package for the uFJC single-chain model.

Project description

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The is the Python package ufjc developed for the uFJC single-chain model, a freely-joined chain model with arbitrary link potential u.

Installation

The package can be installed using pip via the Python Package Index (PyPI),

pip install ufjc

or using conda via the mrbuche channel on Anaconda,

conda install --channel mrbuche ufjc

Alternatively, a branch can be directly installed using

pip install git+https://github.com/sandialabs/ufjc.git@<branch-name>

or after cloning a branch and executing python setup.py install. There are also Docker images available for use. In all of these cases, a valid installation can be tested by running

python -m ufjc.tests

Information

Citation

M. R. Buche and S. J. Grutzik, ufjc: the Python package for the uFJC single-chain model, Zenodo (2022).

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