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Render a PNG image of an atomic structure (rotation, DPI controllable) using ASE + matplotlib.
Install with Codex or Claude Copy this prompt, paste it into Codex, Claude, or another assistant, and let it review the skill page and install it for you.
Based on SOC occupation classification
Build common bulk crystal structures (FCC/BCC/HCP/diamond/zincblende/...) using ASE.
Build a coherent lattice-matched interface between two bulk structures using the pymatgen ZSL algorithm.
Workflow, lattice-matching strategies, and pitfalls for building interfaces between two crystals/surfaces.
Strategies for searching, filtering, and downloading structures from the Materials Project (MP) database.
Workflow for building Metal-Organic Framework (MOF) structures (MOF-5, Cu-BTC, IRMOF series, custom).
Methods for building isolated molecules (ASE database, SMILES via RDKit, organometallics, endohedral cages, NEB pathways).
| name | structure-image |
| description | Render a PNG image of an atomic structure (rotation, DPI controllable) using ASE + matplotlib. |
| when_to_use | Use to produce a quick visual of a structure for the user or for the vision-examiner agent. Output is a PNG file. |
| entry | scripts/structure_image.py |
python3 scripts/structure_image.py generate_structure_image \
--folder . --file-name slab.extxyz \
--output-image-name slab.png \
--rotation '10x,20y,30z' --dpi 150