RXN files and reaction arrows

Hi!





I am importing (MDL) RXN files into MarvinView 5.1.02. RXN format only considers "reactants" and "products", with implied direction "reactants" (left) to "products" (right).


My problem is: we also consider the bidirectional transformation, as well as undefined direction (left to right, right to left or both).


Is there any way to import RXN files specifying the type of arrow to be displayed automatically? I mean, without any user action.


I read the MarvinView documentation - particularly on applet parameters -, and the posts in this forum, but found no clue.








Thanks in advance,





Rafael

Hi Rafael,





From which drawing program you have exported the RXN file? Could you send us an example? Are you sure that the reaction arrow type is defined in the RXN file? (Because AFAIK it is not possible.)





Thank you and best regards,





Akos

Akos,





Thanks for your reply :)


I'm sorry if I didn't explain it properly: the reaction arrow type is definitely not defined in the RXN file, as MDL specification does not allow this.


I wish to know if I can define it somehow - of course out of the RXN file -, as it always shows the left-to-right arrow (->), but I wish - in some cases - to use instead a double-head arrow (<=>), or even something like <?> for undefined direction.





Hope this clarifies things.


Thanks!





Rafael

Dear Rafael,





It is possible to save the four types of reaction arrow (chosen from the submenu of the reaction arrow button) with Marvin Documents file format (.mrv). Unfortunately we don’t have a format that could store a reaction arrow of undefined direction.





Best regards,


Erika.