Export all 3D structures from MarvinSpace

Hi,

I need to convert several hundred drug structures from 2D to 3D. When I open a .SDF file containing the 2D structures in MarvinSpace it shows all of them in 3D. However, when I use the File - Save As menu option, only the first structure gets saved (correctly in 3D). Is there a way to export all of the shown structures? Or maybe there is another way to do batch 2D -> 3D conversion?

Tony 

Hi Tony,

The most appropriate tool for batch conversion of your 2D structures to 3D is molconverter. You may wish to find it's online documentation here, and more specifically, the 3D structure generation options are described here.

I hope this helps.

BR

Miklos

Thank you, Miklos ! That worked like a charm.