MDL RXN format (rxn)

The MDL reaction format is used to store information on chemical reactions.

Output Options, e.g. -xA

A output in Alias form, e.g. Ph, if present G <option> how to handle any agents present

One of the following options should be specifed:

• agent - Treat as an agent (default). Note that some programs

  may not read agents in RXN files.

• reactant - Treat any agent as a reactant

• product - Treat any agent as a product

• ignore - Ignore any agent

• both - Treat as both a reactant and a product