Daylight Summer School 1998, July 28-30, St. John's College, Santa Fe, NM

Daylight Worksheet - Building a database with scripts

By using scripts to build a database, you can automate the process for greater ease and repeatibility. The script is thus both a tool and a record of the steps taken.

  1. Locate the script MakeDB in your admin directory. This is a sample. MakeDB includes a typical set of steps for converting a database from a non-Daylight format, to creating the database and loading the data. The clogp program is used to add data and the Clustering Package is used to cluster the compounds. Inspect the script and study how these tasks are accomplished.

    DestroyDB simply destroys the database and its auxilliary databases safely and conveniently.

  2. Copy MakeDB to MakeDB-original and then modify MakeDB to double the primary hash table size and cross-reference hash table size. Also add a command to thorload a second data file generated from test2.mol.

  3. Run your edited script and verify that no errors occur and the database is useable with Thor and Merlin.

Daylight Chemical Information Systems Inc.