User 22c88daf92
08-06-2013 06:33:48
hello!
We want to recognize many multistep( greater than 3) reaction ( may be ChemDraw or ISISDraw object ) in word 2003 document , we want to kow:
1. How to recognize these reactions by java program calling Marvin api? Is there some java code examples?
2. We can save single reactions as rxn file, but How to save the multistep( greater than 3) reaction as a rxn file? Because we want to import multistep reaction to JchemBase for search.
thanks!
ChemAxon fc046975bc
12-06-2013 06:08:59
Hello,
sorry for the late answer!
1.) Embedded reaction objects can be imported using the D2S API
in the same
way as any other structures. If there are non-reactions
structures, you
can filter them out afterwards.
The relevant documentation can be found at:
http://www.chemaxon.com/marvin/help/developer/d2s.html
2.) According to the, specification of format rxn, CTfile, multistep reactions can not be exported to that format:
"Reaction files: Each rxnfile contains the
structural information for the reactants and products of a single
reaction."
I hope it helps!
Best Regards,
Peter