Export molecules in a Table-like format?

User e7f0cf64ac

11-03-2011 20:42:09

In the past if I exported an excel file it would show it in the "Projects" window as a Table-like format. This is a compact way to display the 2D structures

Is it possible to get this feature in say IJC 5.4?

Please let me know


Carlos Faerman

User e7f0cf64ac

11-03-2011 20:54:02


If you export the molecules in your Grid view into cxsmiles, it will display them as a Table

Carlos H.

ChemAxon fa971619eb

11-03-2011 22:05:28

Hi Carlos,

I think you must be referring to export to a SD file, or maybe other structure file formats, such as smiles. There was (and still is) a basic structure file viewer that displays structures in a matrix format. This never worked with Excel format.

However, since IJC 5.4 there is a much easier way to do this - the structure matrix widget:


(that help page is a bit ugly, but it should give you the idea of how this widget works).

This allows structures to be displayed directly in matrix format in an IJC form. You can control the size of the matrix, and display and extra field (e.g. compound ID) within each cell. Selection is fully synchronized within the form.