Input a .smi (or .txt) file. Each line of the file contain a SMILES string, optionally followed by a name (separated from the SMILES by a space).
Paste XYZ coordinates. Each line should start with a chemical symbol, followed by coordinates (tab–separated).
| Tools | Fragments | More Fragments | |||
|---|---|---|---|---|---|
| click | select | M / C | methyl | ⇧+B | boranyl |
| double click canvas | unselect all | E | ethyl | ⇧+P | phenyl |
| double click structure | select fragment | N / W | amino | ⇧+N | nitro |
| hold ⇧, double click structure | add fragment to selection | O | hydroxyl | ⇧+O | methoxy |
| hold ⌘, drag / hold ctrl, drag | rectangle select | F | fluoro | ⇧+F | trifluoromethyl |
| hold ⌘+⇧, drag / hold ctrl+⇧, drag | add to selection (rectangle) | ⇧+S | silyl | ⇧+A | acetyl |
| esc | clear selection, reset tool | P | phosphino | ⇧+E | co2me |
| backspace / delete | delete selection | S | thiol | Y | boc |
| arrow keys | rotate view | L / ⇧+C | chloro | ⇧+H | cbz |
| hold shift, drag | move selection | B | bromo | ⇧+Q | fmoc |
| hold R, drag | rotate selection | I | iodo | ||
| ⌘+Z / ctrl+Z | undo | ||||
| ⌘+⇧+Z / ctrl+Y | redo | ||||
| ⌘+C / ctrl+C | copy | ||||
| ⌘+V / ctrl+V | paste | ||||
Input one SMILES per line. Optionally, add a comma and a name after each SMILES.
Input PubChem names or CIDs, one per line. Optionally, add a comma and a custom name after each entry. Search PubChem.
To select a project structure, click on the row and then click "Select."
| Name | SMILES | |
|---|---|---|
| There's nothing here |