openbabel

SKILLFlujo de trabajocomunidad
v0.0.0jinzhezenggroupLGPL-3.0Actualizado hace 7 dFuente →

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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hace 7 dÚltima actualización
Skill
Autorjinzhezenggroup
Versión0.0.0
LicenciaLGPL-3.0
CategoríaFlujo de trabajo
Formatosskill.md
PromptNo publicado
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Claude✓ Compatible
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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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