OK, I promise I’ll drop this subject after this note! I put together a quick and dirty head to head JSME SMILES to IUPAC competition between Resolver and PubChem. I simply added PubChem IUPAC to Peter Ertl’s Resolver IUPAC test page:
http://chemagic.org/molecules/jsme9.htm Don’t go bonkers with fast JSME drawing because you can break it! There are back to back AJAX calls, and with JSME’s AfterStructureModified callback, you can send out multiple AJAX calls real fast. Recalling that Resolver will go to PubChem for an IUPAC within the subset of PubChem that Resolver uses, the demo is an interesting study of this process. If you use the single bond tool to slowly draw a convoluted alkane, I think you will find the Resolver usually throws up it’s hands first. For fun, I have PubChem reporting other ID’s. The Resolver results are in the JSME info window. The PubChem results are on the page under the JSME app. For a real head to head competition treat, simply draw one cyclobutane ring, or one cyclooctane ring, or one cyclopenta-1,3-diene ring, or oct-1-yne, or spiro[2.2]pentane... I’m just "sayin" Otis -- Otis Rothenberger o...@chemagic.org http://chemagic.org > On May 9, 2016, at 8:25 PM, Robert Hanson <hans...@stolaf.edu> wrote: > > ps; adding > > info = eval("JSON",x) > ------------------------------------------------------------------------------ Mobile security can be enabling, not merely restricting. Employees who bring their own devices (BYOD) to work are irked by the imposition of MDM restrictions. Mobile Device Manager Plus allows you to control only the apps on BYO-devices by containerizing them, leaving personal data untouched! https://ad.doubleclick.net/ddm/clk/304595813;131938128;j _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
