How can I make 2D ssdf from 3D for better view in MarvinSket

User ebede0eb15

01-12-2009 10:04:59

I have a goal to present the dataset of structures after the virtual screening with 3D coordinates. But these compoundsĀ  are not shown by Marvin in 2D format they are shown in 3D fornat. So the question is how is possible to view them in 2D format or get 2D format from 3D format?

ChemAxon 990acf0dec

03-12-2009 07:41:29

Hi,


In MarvinSketch and MarvinView you can use the Clean 2D option (Ctrl+2, or Structure > Clean 2D). But In MarvinSketch presently you can open only a single record from an SDFile (from version 5.3 you will be able to open a selected set of structure up to 100 records).


In addition, using the "-2" option of molconvert you can convert the coordinates to 2D inĀ  batch mode:


http://www.chemaxon.com/marvin/help/applications/molconvert.html


Best regards,


Akos