file formats for reactions

User b7aa615db3

23-02-2005 15:29:58

Would you add the 'rxn' format to the 'Save Reaction' button on the Reactor jsp page? (http://www.jchem.com/examples/reactor/jsp/index.jsp)





Also, would you summerize the tradeoffs between the different formats that can be used for saving a reaction?

ChemAxon d76e6e95eb

23-02-2005 15:49:28

Reaction data - like rules - are stored as fields inside the reaction file. Thus, you can store a reaction in MRV format or RDF format, since both support fields. The RXN file format supports reaction equations, but it does not support fields. That's why "smart" reactions cannot be saved in RXN files.





I think, that both MRV and RDF formats are equally good for storing your reactions. However, I usually use the XML based MRV file format.