القائمة
Render a PNG image of an atomic structure (rotation, DPI controllable) using ASE + matplotlib.
التثبيت باستخدام Codex أو Claude انسخ هذا Prompt والصقه في Codex أو Claude أو مساعد آخر ليراجع صفحة Skill ويثبّتها لك.
استنادا إلى تصنيف SOC المهني
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