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add sample image
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gwirn committed Feb 20, 2024
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Expand Up @@ -8,6 +8,8 @@ Based on a given PDB file, this tool creates a new PDB file that includes pseudo

If any atoms are missing, the centroid will be calculated based on the available atoms. If there are no catalytic atoms for a specific residue, a warning will be issued.

![alt text](./example/output.png?raw=true)

## Installation
[Install rust and cargo](https://www.rust-lang.org/tools/install)

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