A couple of options, a) Use the newer standalone version of SMSD, this is why the package is deprecated. We did try to integrate the newer version but it proved difficult and there were some test regressions. You can still use the deprecated one. b) Edmund Duesbury has some updated MCS algorithms based on CDK for his PhD.
John On Sun, 16 Sep 2018 at 22:40, Rajarshi Guha <rajarshi.g...@gmail.com> wrote: > Looking at the 2.0 docs indicates that the SMSD classes for MCS detection > have been deprecated. > > What is the recommended way to identify MCS's in 2.0? > > -- > Rajarshi Guha | http://blog.rguha.net | @rguha <https://twitter.com/rguha> > > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user >
_______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
