Export data stored in Reactions table to RXN file

User 42f208ce8e

15-02-2013 07:09:04

Hi IJC Team,

I have some reaction data stored in a reaction table type in IJC, I would like to export the data to RXN file format. but RXN file format is not listed under export options of IJC. How do I do this? I tried to export them to SDF format but some reaction arrows and reactants gets distorted when I do that.



ChemAxon 2bdd02d1e5

15-02-2013 09:57:46

Hi Yogitha

RXN format supports only reaction and not additional fields which are usually important in IJC. Can you use MRV or RDF files instead? I would personaly prefer MRV file format if possible. But maybe you find other appropriate format among supported ones. I'm affraid this is a bit data specific and needs some experimentating on your side...
But Marvin files will surelly work fine in ChemAxon's products.


ChemAxon 2bdd02d1e5

15-02-2013 10:00:10

Also I forget to mention that a RXN file can be exported from build-in Marvin Sketch editor from File -> Save as... menu, but it gives you only one structure in the file...