Apr 29 2022
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.
If you wish to save your chemical spreadsheet and plots and setup.
To save all the chemicals in a table as an SDF file:
To save selected chemicals in a table as an SDF file:
To export to Excel:
Chemicals drawn in the ICM Molecular Editor can be saved:
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:
To save an image of a chemical sketch:
The IUPAC nomenclature for a compound can be generated on the fly for a chemical. You can view the IUPAC name in the Molecule Editor or you can insert a column into a chemical spreadsheet with the IUPAC name.
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