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