Rebuild Compound Coordinates
Regenerate small-molecule atomic coordinates.
Menu: Compounds → Build → Rebuild Compounds
Guided tour: Launch in MolModa
This plugin uses Open Babel to regenerate (correct) the 3D coordinates of compounds that are flat or have poor geometries.
Where to find it
Dialog
Parameters
| Parameter | Default | Description |
|---|---|---|
makemolinputparams |
— | — |
| 3D generation quality | best |
Choose the quality level for 3D coordinate generation. 'Best' is recommended for accuracy but is slower. |