Re: [Jmol-users] SMILES Problem with 14.4.4_2016.03.25

Spoken by a man whose school fight song is Um Yah Yah... Happy to do it. I'm putting some stuff together for BCCE, and I might as well do all the testing on your latest versions. Otis Sent from my iPad > On Mar 30, 2016, at 12:10 AM, Robert Hanson wrote: > > Otis,

Re: [Jmol-users] SMILES Problem with 14.4.4_2016.03.25

Otis, thanks so much for testing this. It has to do with that needed reversal of connection numbers and branches. There was still a bug in the switching code. In the process of fixing that, I discovered a line I dropped from the code that broke Jmol's ability to check stereochemistry in one SMILES

Re: [Jmol-users] SMILES Problem with 14.4.4_2016.03.25

shoot! Thanks for testing, Otis... ​ -- Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more.

Re: [Jmol-users] SMILES Problem with 14.4.4_2016.03.25

Bob, It’s not my implementation. I tested this on my page on my server for 4.4.4_2016.03.25 and 4.4.3_2016.03.05. Only 4.4.4_2016.03.25 is broken. Prior to this I tested your page at http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm (4.4.4_2016.03.14). It’s not broken there. 4.4.4_2016.03.25

[Jmol-users] SMILES Problem with 14.4.4_2016.03.25

Bob, Do you have 4.4.4_2016.03.25 running anywhere on the Web so that I can check that this is not my implementation? Here’s the problem: I was having a SMILES problem with hard copy of SOME old Resolver generated molfiles. After some checking by going to Resolver (or PubChem) directly, show