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Features Overview
This page is an organized map of the features available in ChemDraft 1.0.0.
- Drawing tools. Draw, select, move, delete, clean up 2D structures, and use undo/redo through registered commands. See Drawing Basics and Selection and Editing.
- Atoms, labels, and abbreviations. Place element labels and chemistry-aware abbreviation labels; the latter participate in formula and mass calculations. See Atoms and Labels and Templates and Abbreviations.
- Bonds, stereo, rings, and chains. Use single, multiple, wedge, hashed, dashed, and bold bonds, ring templates, fused rings, and carbon-chain operations. See Bonds and Stereochemistry and Rings and Chains.
- Charges, radicals, and dative bonds. Represent these as editable chemical data rather than decorative marks. See Charges, Radicals, and Dative Bonds.
- Pages and tabs. Work on page-based documents and keep multiple documents in tabs in one document window. See Documents, Pages, and Tabs.
- Clipboard. Paste and copy drawing data and interchange representations, with platform-specific native clipboard handling. See Copy, Paste, and Clipboard.
- Arrows and mechanisms. Create reaction, equilibrium, resonance, retrosynthesis, and no-reaction arrows, plus atom/charge-anchored mechanism arrows. See Arrows and Mechanisms.
- Art and styling. Add editable graphics, text, bond appearance, ring fills, and sketch-like treatments; styling does not alter chemical identity. See Art Objects and Styling.
- Layouts and presets. Arrange multiple objects and use figure-oriented styles and size controls. See Compound Layouts and Publication Figures and Style Presets.
A scheme can combine editable structures, arrows, and reagent text.
- Chemistry guarantees. Conversions preserve represented chemical meaning or warn/fail; they do not silently simplify a molecule. See Chemistry Guarantees.
- Analysis and properties. The Molecular Inspector provides status-bearing properties, isotope envelopes, ion m/z values, and model-based estimates where applicable. See Analysis and Properties.
- NMR prediction. The optional predictor uses OCL-native HOSE-fragment lookup over NMRShiftDB2 experimental assignments. Shifts and first-order multiplicities are estimates. See NMR Prediction.
- Naming. Name-to-structure uses OPSIN; structure-to-name is an optional engine-backed workflow that only displays a name after host verification. See Name to Structure and Name from Structure.
- Structure recognition (experimental). The optional MolScribe OCSR integration runs locally, returns uncertainty warnings, and always uses proposal review before insertion. See Structure Recognition.
- Spin 3D. Generate a conformer, rotate its display, and flatten the chosen view back into the drawing. See Spin 3D.
- Files and export. Native documents, CDXML support, and SVG, PDF, raster, SDF, SMILES, and related workflows are documented in File Formats and Compatibility, CDXML Support, and Exporting. MOL export is planned.
- Plugins. Plugins contribute permission-gated commands, menus, panels, analysis, import/export, and more through a versioned API. See Plugins Overview, Plugin Permissions, and Plugin API Reference.
- Agent tools. The local CLI, MCP server, and agent skill use shared document logic and machine-readable results. See Agent Tools Overview, Command-Line CLI, MCP Server, and Agent Skill.