Bob, A while back I added a Resolver down detection to our model kit. This automatically switches us over to ChemSpider smiles to inchi and PubChem loading. Doing this keeps all of our database connections open - NIST, JME to Jmol load, etc. Everything works, albeit in the context of the PubChem database.
I'm now trying to extend that coverage to nmr prediction. I can get the model and spectrum load, but I lose the Jmol to JSpecView connection. Here's what I'm doing: Jmol.script(jmol, "load ../models.aspx?smi2sdf2=" + smilesEscape(model, 1)); // above loads Jmol model from PubChem var s = Jmol.getPropertyAsString(jmol, "extractModel"); Jmol.script(jsv, "load \"http://SIMULATION/MOL=" + s.replace(/\n/g,"\\n") + "\""); //above loads ir spectrum into JSpectView So far so good. However, there is no peak/atom click connection be the two displays: http://chemistry.illinoisstate.edu/osrothen/jsmol/predictor.htm?res=pub&id=C[C@@H](O)CC Can you point me in the right direction to make the connection? I know you're not crazy about this approach, but I would like basic model kit functionality when Resolver is down. Models in the PubChem database are just fine for our small model homework exercises. Otis -- Otis Rothenberger o...@chemagic.com http://chemagic.com ------------------------------------------------------------------------------ Managing the Performance of Cloud-Based Applications Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. Read the Whitepaper. http://pubads.g.doubleclick.net/gampad/clk?id=121051231&iu=/4140/ostg.clktrk _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users