Bond user manual User's Guide download pdf (Page 169)

Adding structures

You can add chemical structures to a worksheet from any file format that ChemBioDraw 13.0 supports.

ChemDraw/Excel assigns the chemical formula as structure name which can be changed by using the Name Mole-

cule command.

The simplest way to insert a new structure in a cell is by double-clicking a cell.

1. Create a ChemOffice worksheet.

2. Double-click in a cell. ChemDraw/Excel displays a dialog asking you if you want to add a structure to the cell.

3. Click YES. ChemBioDraw 13.0. opens.

4. Draw a structure and go to File>Close or press CTRL+W to return to ChemDraw/Excel. Structure appears on the

worksheet.

Note: Double-clicking a structure (or cell containing a structure) on a worksheet will start structure editing in Chem-

BioDraw.

Adding a structure from a file

1. In Excel, select the cell into which you want to add the structure.

2. Go to ChemOffice13>Molecule>Load. The Choose Molecule To Load dialog box appears.

3. Type or select the file name of the structure and click Open.

The following formats are supported:

ChemBioDraw (*.cdx) MDL Rxn (*.rxn)

ChemBioDraw XML (*.cdxml) MDL Graphic (*.tgf)

ChemDraw 3.5 (*.chm) Connection Table (*.ct)

ChemBio3D XML (*.c3xml) MSI Molfile (*.msm)

MDL Molfile (*.mol) SMD 4.2 (*.smd)

MDL Sketch (*.skc)

SMILES strings

You can insert SMILES strings into cells and convert them to structures.

1. Type or paste the SMILES strings into one or more cells.

2. Select the cells to convert.

3. Go to ChemOffice13>Convert>SMILES to Molecule. Alternatively, you can use the context menu command to

convert SMILES to molecule. If the cell does not contain a valid SMILES string, a warning indicating that the

number of SMILES strings that cannot be converted appears.

Inchi strings

You can insert Inchi strings into cells and convert them to structures.

1. Type or paste the Inchi strings into one or more cells.

2. Select the cells to convert.

ChemBioDraw 13.0

Chapter 10: ChemDraw/Excel 160 of 401

1 2 ... 164 165 166 167 168 169 170 171 172 173 174 ... 409 410

No comments

Bond user manual User's Guide Page 169