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Update README.md
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gwirn authored Feb 20, 2024
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# psatm

![TEST](https://github.com/ugSUBMARINE/psatm/actions/workflows/rust.yml/badge.svg)
[![Software License](https://img.shields.io/badge/license-MIT-brightgreen.svg)](/LICENSE.md)
<a title="Code Size" target="_blank" href="https://github.com/gwirn/golaf"><img src="https://img.shields.io/github/languages/code-size/ugSUBMARINE/psatm"></a>

Based on a given PDB file, this tool creates a new PDB file that includes pseudoatoms for each residue. These pseudoatoms represent the centroids of each residue's catalytic atoms.

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.
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