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 smiles is failing in the asterisk marked loads below in 4.4.4_2016.03.25 but not 4.4.4_2016.03.14. On this break, subsequent editing of the model also fails to give a SMILES. From JavaScript, Jmol.evaluateVar(jmolApplet0, "{*}.find('SMILES')") is also broken in these cases. I don’t see a pattern: load "$acetic acid";select *;show smiles load $chalcone;select *;show smiles *load "$vitamin e";select *;show smiles *load $cholesterol;select *;show smiles load "$vitamin c";select *;show smiles *load $testosterone;select *;show smiles load $decalin;select *;show smiles load "$ethyl alcohol";select *;show smiles load $CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC;select *;show smiles Here’s a quick test for Resolver load "$acetic acid";select *;show smiles;delay 2;load $chalcone;select *;show smiles;delay 2;load "$vitamin e";select *;show smiles;delay 2;load $cholesterol;select *;show smiles;delay 2;load "$vitamin c";select *;show smiles;delay 2;load $testosterone;select *;show smiles;delay 2;load $decalin;select *;show smiles;delay 2;load "$ethyl alcohol";select *;show smiles;delay 2;load $CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC;select *;show smiles Here’s a quick test for PubChem load ":acetic acid";select *;show smiles;delay 2;load :chalcone;select *;show smiles;delay 2;load ":vitamin e";select *;show smiles;delay 2;load :cholesterol;select *;show smiles;delay 2;load ":vitamin c";select *;show smiles;delay 2;load :testosterone;select *;show smiles;delay 2;load :decalin;select *;show smiles;delay 2;load ":ethyl alcohol";select *;show smiles;delay 2; Otis -- Otis Rothenberger o...@chemagic.org http://chemagic.org ------------------------------------------------------------------------------ Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more. http://pubads.g.doubleclick.net/gampad/clk?id=278785471&iu=/4140 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users