1.8.5. Modify/Redraw

1.8.5. Modify/Redraw

ADMET Predictor lets you redraw molecular structures by generating fresh 2D coordinates. This is useful when the original structure is poorly rendered, such as when two or more atoms overlap one another, when there is unnecessary bond crossing, or when the input structure includes 3D coordinates. To redraw structures, select the compound(s) of interest in the Compounds tab and use VIEW>>Modify Structures>>Redraw.

If no compound has been selected, the action is performed for all the compounds visible in the spreadsheet.

If you are not satisfied with the redrawn structure (or prefer the previously drawn structure), you can immediately change it back by clicking on the Undo icon in the toolbar. Should you wish to revert to the original structure later, you can will need to use VIEW>>Modify Structures>>Undo Redraw.