Name: MDL Direct (ISIS/Direct RCS) Components and examples

Author: Dave Evans, Anne Li-Zhong

Version: 1.0

Created: 07/07/03

Purpose: This set of components allow the user to access data from MDL/Direct (Formally ISIS/Direct, RCS).

Requirements: MDL/Direct cartridge installed

O/S: Windows and Linux

Limitation: Substructure search can only accept one query structure right now.

Keyword: MDL/Direct, ISIS/Direct, RCS

Contents:
This set of components allow Pipeline Pilot users to communicate with MDL/Direct databases. These components are:
· MDL Relational Chemistry Server SELECT
· MDL Relational Chemistry Server INSERT
· MDL Relational Chemistry Server JOIN
· MDL Relational Chemistry Server SSS (two components taking different input format)
· MDL Relational Chemistry Server Similarity Search

In addition, there is a set of example protocols (in example folder), one for each component.

Installation:
1. Unzip the file and import components/protocols into Pipeline Pilot.

2. All these examples are using MDL sample database "isisrc2d". Before any of these components or examples can be run, the ODBC DSN has to be setup properly. If you are using a different database, it is important that you modify the Initial SQL so it uses the correct MDL/Direct database, and modify the SQL statement so it uses the correct table and column names.

3. RCS SSS Example (chime string input) requires MDL Draw and Chime to be installed.