openbabel

SKILLWorkflowCommunity
v0.0.0jinzhezenggroupLGPL-3.0Aktualisiert vor 7 TQuelle →

A versatile CLI tool for converting molecular file formats, generating 3D atomic coordinates from SMILES, rendering 2D chemical structure images, and preparing or extracting structures for computational workflows. USE WHEN you need to convert between chemical file formats (e.g., xyz, pdb, mol, smi,

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128Repo-Sterne
1Clients
1Formate
vor 7 TLetzte Aktualisierung
Skill
Autorjinzhezenggroup
Version0.0.0
LizenzLGPL-3.0
KategorieWorkflow
Formateskill.md
PromptNicht veröffentlicht
Kompatibilität
Claude✓ Unterstützt
Cursor
Copilot
ChatGPT
Gemini
Über

A versatile CLI tool for converting molecular file formats, generating 3D atomic coordinates from SMILES, rendering 2D chemical structure images, and preparing or extracting structures for computational workflows. USE WHEN you need to convert between chemical file formats (e.g., xyz, pdb, mol, smi, gjf), generate 3D structures from SMILES using `--gen3d`, render molecule images (PNG/SVG), or extra

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