Note that this file format contains atom plot coordinates - a recomputed drawing would have the nitrogen in the standard position!
| Simple display, black on white | Colored display on black background | With headers and footers, unusual bond coloring and hidden embedded image data |
|---|---|---|
| Simple substructure matching and highlighting - and as PNG image, not GIF | With superatoms, partial superatom expansion, and selected atom highlighting | An inline compressed Molfile with 2D-coordinates as structure source instead of SMILES, a larger coordinate scaling, and a cropped variable-size image with a 2-pixel border. |
Note that this file format contains atom plot coordinates - a recomputed drawing would have the nitrogen in the standard position! | ||
| We can plot reactions from Reaction SMILES or RXN files, too! | And now annotated with a computed CIP stereo descriptor! | |
|
|
| |
| Here we have a molecule in a standard computed orientation | We are going to use these templates with preset coordinates to align it. Note that templates cannot just rotate a structure (first example), but also change the overall layout (second example) | The same structure, but now aligned according to two different templates |
| And this is an intentionally provoked error: | ||