Upgrading your database tables for use with SEURAT 5.3

1) Change directory to <SEURAT-Server-Install-Dir>/bin

Where “<SEURAT-Server-Install-Dir>” is the directory in which you installed the SEURAT Server.

2) Execute the following java command:

java –cp seurat-server.jar chemaxon.jchem.Command u --driver <driver>

--dburl <dburl> --proptable <jchem_properties_table_name> --login <login> --password <password>

Oracle Example :

java –cp seurat-server.jar chemaxon.jchem.Command u --driver oracle.jdbc.driver.OracleDriver --dburl jdbc:oracle:thin:seurat/seurat@localhost:1521:xe --proptable jchemproperties --login seurat --password seurat

PostgreSQL Example:

java –cp seurat-server.jar chemaxon.jchem.Command u -- org.postgresql.Driver --dburl jdbc:postgresql://localhost:3247/synaptic --proptable jchemproperties --login seurat --password seurat

3) If your tables require updating you will be prompted to update them:

If you need to update your tables, you will see the following message:

JChem has detected that some tables were created with an older version of JChem,

and may contain obsolete data that need full regeneration.

Do you want JChem to regenerate these tables ?

(this may take some time, possibly hours, depending on the size of your database)

If you select NO, search results will be inaccurate for these tables.

Perform operation ([Y]es / [N]o / [L]ist objects) ? :

Type ‘Y’ and press ‘Enter’.

You should see messages similar to those below:

Regenerating SEURAT.LIBDES_VENDOR_MOLECULES ... Done.

Regenerating SEURAT.SMPC_STRUCTURE ... Done.

Regenerating SEURAT.SYN_STRUCTURE ... Done.

Regenerating SEURAT.TEST_COMPOUNDS ... Done.

4) If your tables do not need to be updated. No message will appear and the command will exit.

5) Add the new “comments” column to the smpc_structure table

If using a PostgreSQL database:

You will need to run the <SEURAT-Server-InstallDir>/postgresql/updateSchema.sql script.

From the DOS command prompt change (cd) to the directory that contains the updateShema.sql file. Execute the following command:

<PostgreSQL-InstallDir> \bin\psql.exe -h localhost -p 3247 -U postgres -f updateSchema.sql

Where <PostgreSQL-InstallDir> is the directory in which PostgreSQL is installed.

You will be prompted for your postgres user password.

If using an Oracle database:

Log into the SEURAT schema using SQL*Plus and execute the <SEURAT-Server-InstallDir>/oracle/updateSchema_Oracle_XE.sql script.

6) The upgrade is complete.