3D and orbitals

Turn a drawing into 3D, measure it, show orbitals, Hückel and MO diagrams, view proteins and export 3D files.

1. 1 · How-toHow to view a structure in 3DSelect the structure and choose View › 3D view or press Shift+D. Drag to turn, shift-drag to pan, scroll to zoom. The 2D button in the top bar goes back.
2. 2 · How-toHow to label and measure in 3DIn the 3D view, pick a style (ball and stick, stick, space filling, ionic radii, wireframe) and turn on Hydrogens (H), Labels (T), Lone pairs (L), Orbitals (O), Bond angles (A) and Symmetry elements (S).
3. 3 · How-toHow to draw orbitals on a structureSelect the structure and choose Object › Chemistry › Visualize orbitals. Orbital lobes are drawn on its atoms as shapes, in two colors for the two phases.
4. 4 · How-toHow to calculate Hückel π orbitalsSelect a conjugated structure and choose Object › Chemistry › Hückel π orbitals. Each π orbital is drawn with its energy; the HOMO, LUMO, gap and π energy are listed.
5. 5 · How-toHow to insert an MO energy diagramChoose Insert › Insert MO energy diagram. A schematic MO diagram is placed, such as O2 with its bond order and unpaired electrons, ready to edit.
6. 6 · How-toHow to save a 3D picture, video or modelIn the 3D view, the buttons on the lower bar save a PNG of exactly this view, a video of one revolution, the conformer as a PDB file, STL or 3MF for a 3D printer, or GLB for AR, PowerPoint 3D and Blender.
7. 7 · How-toHow to view a protein from the PDB or AlphaFoldChoose Open a protein structure (press Ctrl+K and type it), or type the id into Quick insert, and enter a PDB id such as 1CRN or a UniProt accession for an AlphaFold model. It opens in the 3D preview as a ribbon, and Cite gives the reference.
8. 8 · How-toHow to draw orbitals on a structurePress O and pick p orbital (1), sp³ (2), sp² (3), sp (4), sp³ set (5), sp² set (6), sp set (7), π bond (8) or s orbital (9), or a d or f orbital from more. Click an atom to place it, or a bond for a π bond.