Jul 30 2019
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.
|Copyright© 1989-2019, Molsoft,LLC - All Rights Reserved.|
This document contains proprietary and confidential information of
The content of this document may not be disclosed to third parties, copied or duplicated in any form,
in whole or in part, without the prior written permission from Molsoft, LLC.