OEDepict TK
OEDepict TK (formerly Ogham TK) offers rapid 2D coordinate generation and artful rendering of chemical structures. 2D coordinates can be generated from connection tables (e.g. SMILES) or 3D structures. Multiple image file formats are supported including:
Example of depicting query atom types
Example of depicting reactions with atom mapping
- PNG (Portable Network Graphics)
- SVG (Scalable Vector Graphics)
- bare SVG (with no header)
- Postscript
- Encapsulated PostScript
- PDF (Portable Document Format)
In addition to standard depiction routines, OEDepict TK provides a powerful graphics engine which supports:
- Basic shape drawing
- Multiple molecular display types
- Variety of highlighting styles
- Customizable layout options (including grids and multi-page formatting)
- Depictions aligned by MCS or substructure,
- MDL Query and MDL Reaction depictions
Example of depicting query atom types
Example of depicting reactions with atom mapping
