Look for AllChem.RxnToRxnBlock and just save the output of this to an ".rxn" file.
It looks like there is no RxnToRxnFile which would possibly be a nice addition. ---- Brian Kelley > On Mar 1, 2017, at 3:21 PM, Steven Combs <[email protected]> wrote: > > Hi, > > Is there a way to save out reactions in the RD file format specified by the > CTFile format specifications or should I just write out my own format? > > Steven Combs > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, SlashDot.org! http://sdm.link/slashdot > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
