Chemical formula or 3D molecular structure in IJC

User 69dfb518d1

01-06-2008 16:54:32

I have built from scratch a new data table in IJC.

There is no problem to fill numerical or textual information in cells of the database in the grid view.

How to fill molecular formula in a cell of the table using MrvinSketch, ISIS Draw or any other corresponding software? I don't also know how to insert in the empty cell a 3D molecular structure built by any molecular editor in PDB, XYZ. MOL or any other relevant format. The 2D and 3D molecular structures should be active for rotations, translations and editing by transferring control to the corresponding drawing and molecular editor software.

ChemAxon fa971619eb

01-06-2008 19:00:33

Assuming that you have created a new JChem entity (the orange icon, not the green one) then adding structures should be straight forward.

Use the add row function for the grid view and in the dialog you get you can specify the structure by drawing it in marvin sketch.

You only need to specify the structure. The MolWeight and formula are generated automatically.

If your structures already exist as files they can be imported into the marvin sketch editor. 3D formats are supported.