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6 changes: 5 additions & 1 deletion README.md
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A utility to automatically prepare structures from the PDB for molecular dynamics simulation and perform minimisations and simple MD simulations.

## Example usage
<img width="768" height="432" alt="demo" src="https://github.com/user-attachments/assets/f7785a4d-ef54-428d-b193-1cb6413bc21e" />
<p align="center">
<img src="docs/_static/logos/prepmd-logo-white-text.svg#gh-dark-mode-only" alt="prepmd logo" width="300"/>
<img src="docs/_static/logos/prepmd-logo-black-text.svg#gh-light-mode-only" alt="prepmd logo" width="300"/>
</p>


## Features
* Automatically download structures, sequences and metadata from the PDB, PDB-REDO, EMDB and UNIPROT
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1 change: 1 addition & 0 deletions docs/source/_static/logos/prepmd-logo-black-text.svg
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