Reaction File Format

Im studying chemistry in University in France





Im building a reaction database and i need to save reactions with others fields.





I want to show the "generic" reactions with some references and exemples witch i selected before.





Ive read that the .rxn file is unable to save others fields than a simple reaction...





Next ... if possible ... is there any chance when i will save the reaction in the right format to put one field in the file.





I explain my self ... for example the .sdf file permit you to enter some carateristics of the molecule youre drawn.





like when you work with some biomolecule you enter the field in the mol or sdf file





><IC50>


50


$$$$





And then you can use it





You can put properties about that molecule...





Is there possible to put some properties like the sdf file in the reaction format ?





Thanks in advance for the answers

Any help ?





thanks

Hello, you can always add a propertyList to the molecule irrespectively whether it is a member of a reaction or not as you can see it in:


http://www.chemaxon.com/marvin/doc/user/cml-doc.html





You can not store properties like this in RXN (see the original documentation at


http://www.mdl.com/downloads/public/ctfile/ctfile.pdf )





Are you using the Java API or molconverter to transform data?

It seems that the RDfile fine





I will try it





Thanks


Best regards

Is there any precise syntax for the RDfile ?


Where i can find list of all syntaxes possible ?





thanks

Hello, all the formats (RXN/RD/SDF, etc) are in the PDF I mentioned before at the MDL site. Our formats are described at http://www.chemaxon.com/marvin/doc/dev/formats.html