17.11.2014 Views

ChemOffice.Com - CambridgeSoft

ChemOffice.Com - CambridgeSoft

ChemOffice.Com - CambridgeSoft

SHOW MORE
SHOW LESS

You also want an ePaper? Increase the reach of your titles

YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.

2. Switch to Data Table view.<br />

Creating a Database<br />

Instead of opening an existing database, you may<br />

want to create a new, empty one. This procedure<br />

results in a simple database with one table for<br />

storing structures.<br />

To create a database:<br />

3. Right-click in the Structure column, and<br />

choose R-Group Table from the context<br />

menu.<br />

The following changes occur:<br />

• the topmost structure is replaced with the<br />

template – not exactly the same as the query<br />

you used, but one with Rs attached at all<br />

positions which found substituents.<br />

• new columns are generated for all the Rs.<br />

• the other rows are populated with the Rs hi.t<br />

NOTE: The data in this table is just for display. It is not<br />

saved anywhere, nor can it be exported or sorted.<br />

1. Right-click and choose Properties.<br />

2. Click Create Database.<br />

The Save As dialog box appears.<br />

3. Choose the directory to which you want to save<br />

the database.<br />

4. Specify a name for the database, and click<br />

Save.<br />

ChemFinder creates the database containing one<br />

table (called MolTable) with four fields:<br />

• Structure<br />

• Formula<br />

• Molecular weight<br />

• Mol_ID<br />

The Mol_ID field corresponds to a column in the<br />

table where a numeric ID is automatically entered<br />

as each structure is registered. The other fields<br />

represent information stored in the structural<br />

portion of the database, linked to the assigned ID.<br />

Molecular formulas and molecular weights are<br />

automatically calculated from a structure. These<br />

internal fields cannot be edited or deleted.<br />

After creating a database, you can create fields for<br />

storing other types of data. It is not necessary to<br />

create the entire set of fields before working with<br />

the database. You may add more fields later.<br />

ChemFinder<br />

<strong>ChemOffice</strong> 2005/ChemFinder Working with Data • 287<br />

Creating a Database

Hooray! Your file is uploaded and ready to be published.

Saved successfully!

Ooh no, something went wrong!