MetaPrint2D - Single Molecules

To use MetaPrint2D on single molecules, double-click on a molecular file in the Bioclipse Navigator to open the 2D JchemPaint editor, and then click one of the buttons in the MetaPrint2D toolbar. This invokes the MetaPrint2D calculations and visualizes the results in the editor like below.

The results are visualized so that atoms are colored according to the likelihood of a metabolic site being centred on this atom: High: red, Medium: yellow, Low: green, and Very low is not coloured.

Tooltip

Hovering over an atom reveals a tooltip showing the number of hits in the reaction centre set, the total number of hits, and the normalised ratio.