Re: [BlueObelisk-discuss] Jmol - CIP update

2017-04-30 Thread Robert Hanson
Unfortunately, the wrong answer. At least for now. The problem is with the mixed mode like/unlike with R/seqCis, R/M, etc. in Rule 4b. I haven't implemented those at all. When I tried, I got crazy results. I would like to do some serious cross-checking with a new Rule 4b test suite. John, sounds

Re: [BlueObelisk-discuss] Jmol - CIP update

2017-04-30 Thread John Mayfield
On 29 April 2017 at 20:54, Robert Hanson wrote: > The algorithm will fail for some more complex nested aspects of Rule 4b. I > decided to be satisfied for now with only those examples in IUPAC Blue Book > 2013 Chapter 9. My understanding is that even ACD/Labs did not fully >