Thorfilters Exercise #1

TASK:

Create a database named drugs for the eight molecules listed in the $DY_ROOT/data/drugs.smi file and include their associated data found in the wdi023demo database.

PROCEDURE:

• Verify that the thor server is running ...SHOW HINTS

• Verify that the server has access the wdi023demo database ...SHOW HINTS

• Extract the tdts from the wdi023demo database for the molecules in the $DY_ROOT/data/drugs.smi file by using thorlookup....SHOW HINTS

• Use thorlist on the wdi023datatypes to create a drugs_datatypes.tdt file....SHOW HINTS

• Create an empty database named drugs_datatypes...SHOW HINTS

• Create an empty database named drugs...SHOW HINTS

• Load the drugs_datatypes.tdt file into the drugs_datatypes database...SHOW HINTS

• If you have not done so already, set -DATATYPES_DATABASE for the database drugs....SHOW HINTS

• Load the drugs.tdt file into the drugs database...SHOW HINTS

• (Optional) For verification view drugs database using xvmerlin...SHOW HINTS

Go To ThorFilters Summary and Examples
Go To ThorFilters Exercise #2