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 wrote:
>
> Hi,
>
> Is there a way to save out reactions in the RD
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 wor
2 matches
Mail list logo
