[ Save Chemical Spreadsheet | Save Molecular Editor | Save Workspace | Saving Chemical Images ]

There are a variety of ways to save chemical structures. Chemicals can be saved in mol, sdf and smiles format from a chemical table (spreadsheet), molecular edior or from the ICM-Workspace. An image of the 2D sketch can be saved as an image from a chemical table.

15.5.1 Saving from a chemical table.

To save all the chemicals in a table as an SDF file:

• Right click on the chemical table header.
• Select Save as..
• Select Save as type: (SD file or Mol file_

To save selected chemicals in a table as an SDF file:

• Select the row(s) of the chemicals you wish to save in SDF format. Row selections in tables is described in the Tables chapter.
• Right click on any of the selected rows and select Save Selection As....

15.5.2 Saving in the Molecular Editor

Chemicals drawn in the ICM Molecular Editor can be saved:

• File/Save or File/Save As... or Edit/Copy as SMILES

15.5.3 Saving in the ICM Workspace

If you have converted a chemical sketch into 3D, the 3D structure will be displayed in the ICM Workspace. To save this structure in mol format:

• Right click on the name of the chemical in the ICM Workspace.
• Select Save As..

15.5.4 Saving Chemical Images

To save an image of a chemical sketch:

• The chemical needs to be displayed in a chemical table.
• Right click on the 2D image
• Select Save Molecule As Image

NOTE Using the right click options you can also save the image to the clipboard or copy the molecule to the ICM Image Album for use in Molecular Documents.