BALL Database Interface
======================

BALL provides a convenient class for convenient storage of small molecule
topologies, conformations, and charges in a relational database.
Please have a look at include/BALL/FORMAT/DBInterface.h for details.

Currently, we support MySQL 4.x. The dump file create_database.sql contains
the code to create the required tables for a database named 'STRUCTURES'.
If you prefer a different name, please change it in the "CREATE DATABASE"
statement and in the "USE" statement at the head of the file.
To create the database, make sure you have a database user with appropriate
permissions and then execute the SQL script through mysql:
  
  mysql -u user -p < create_database.sql

This will create a database named STRUCTURES in your database, which
can then be used from the DBInterface class.

The tools in this directory will allow you to easily import structures
from SD files and export structures to SD files as well.
