Page tree

Introduction

The purpose of these examples is to show you how to run the react command and explain some of its command line options.

For a description of reaction rules and mapping, see the Reaction rules and Reaction mapping sections of the Reactor Manual.

Reaction rule working examples showing more complex combinations of the reactivity, exclude, and selectivity rules are also available.

Prerequisites

These examples run the react UNIX shell script under UNIX / Linux or the react.bat batch file under Windows.

To run these examples:

 

  1. The Java Virtual Machine version 1.4 or higher and JChem have to be installed on your system.

     

  2. The PATH (all systems) and the JCHEMHOME (under Windows) environment variables have to be set as described in the Preparing and Running JChem's Batch Files and Shell Scripts manual.

     

  3. A command shell (under UNIX / Linux: your favorite shell, under Windows: a Cygwin shell or a Command Prompt) has to be run in the reactor example directory.
    In UNIX / Linux:
    cd jchem/examples/reactor
    
    In Windows:
    cd jchem\examples\reactor