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Authors
Travis Hesketh (0000-0002-0502-9596)
Citation
Hesketh, T., (2020). pygen-structures: A Python package to generate 3D molecular structures for simulations using the CHARMM forcefield. Journal of Open Source Software, 5(48), 2157, https://doi.org/10.21105/joss.02157
@article{Hesketh2020,
doi = {10.21105/joss.02157},
url = {https://doi.org/10.21105/joss.02157},
year = {2020},
publisher = {The Open Journal},
volume = {5},
number = {48},
pages = {2157},
author = {Travis Hesketh},
title = {pygen-structures: A Python package to generate 3D molecular structures for simulations using the CHARMM forcefield},
journal = {Journal of Open Source Software}
}
Tags
python computational chemistry chemistry molecular dynamics
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