Hi Bob,
On 9 April 2017 at 13:42, Robert Hanson <hans...@stolaf.edu> wrote:
> [I actually do know it is Cahn; pulled "Cohen" without thinking from
> https://www.chemcomp.com/journal/chiral.htm. Serves me right. Duh!]
>
Was that the algorithm you implemented because it's not correct - it
doesn't (and can't) handle ghost atoms. Trying to track down the example
but Daniel Lowe constructed a small reproducible example to demonstrate why
this can never work.
John
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Blueobelisk-discuss mailing list
Blueobelisk-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
