Help & Guides

In-depth guides for every part of JLmol. Pick a topic to learn more.

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3D Visualization

Display styles, interactive controls, spin animation, drag-and-drop loading, and image export.

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PubChem Database

Search and load structures by CID, name, formula, or SMILES, with auto-detection.

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Structure Editing

The JSME 2D editor, the 3D ModelKit, the XYZ editor, and two-way atom selection.

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Orbital Visualization

HOMO/LUMO identification, orbital navigation, and energy-level display.

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File Formats

Import and export structures in XYZ, PDB, MOL, CIF, and MOLDEN formats.

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ElemCo.jl Integration

Generate inputs and run quantum chemistry calculations locally, in WSL, or via SSH.

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xtb / g-xTB Calculations

Fast semiempirical energies and geometry optimization, with constrained (frozen-atom) optimization.

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Troubleshooting

Solutions to common issues, including Windows graphics and WSL setup.