openbabel

SKILLWorkflowcommunauté
v0.0.0jinzhezenggroupLGPL-3.0Mis à jour il y a 7 jSource →

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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128Étoiles du dépôt
1Clients
1Formats
il y a 7 jDernière mise à jour
Skill
Auteurjinzhezenggroup
Version0.0.0
LicenceLGPL-3.0
CatégorieWorkflow
Formatsskill.md
PromptNon publié
Compatibilité
Claude✓ Pris en charge
Cursor
Copilot
ChatGPT
Gemini
À propos

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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