A python package to post-process molecular dynamics simulations.
Project description
A python package to post-process molecular dynamics simulations.
Free software: MIT license
Features
Extract trajectory of molecular dynamics simulations.
Molecular cluster identification.
Local entropy fingerprint calculation.
X-ray scattering intensity calculation.
To be continued…
Credits
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.
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