PDBClean helps create a curated ensemble of molecular structures
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Updated
Sep 6, 2024 - Jupyter Notebook
PDBClean helps create a curated ensemble of molecular structures
Parse the CIF file format for Protein Data Bank (PDB) data.
Produces neutralized nanoparticles (made up of Fe2O3 unit cells from the standard Fe2O3 .cif file) in .lmp format. Uses the Ovito python library to accomplish this.
Add a description, image, and links to the cif-formats topic page so that developers can more easily learn about it.
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