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oniom-skills

Skills for QM cluster model extraction and ONIOM calculation setup from protein-ligand PDB files.

1 · william-dawson/oniom-skills1 pluginupdated 3 months ago

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pymol

claude

Extract QM cluster models and set up ONIOM calculations from protein-ligand PDB files. Requires PyMOL, XTB (≥6.6), and optionally ORCA.

3 skills

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