Jmol/JME Demo

Demonstration of Jmol's native 2D to 3D conversion from JSME without use of the NCI/CADD server. Requires JSmolJME.js.

|  | info clear no info ModelKit on off

Code on page:
    jmol = Jmol.getApplet("jmol", JmolInfo)
    jme = Jmol.getJMEApplet("jme", JMEInfo);

    Jmol.byName = function() {
     jme.loadM || (jme.loadM = jme.__loadModel);
     var s = prompt("Enter a chemical name, SMILES, or other chemical identifier", jme.lastID || "tylenol");
     if (!s)return;
     jme.lastID = s;
     var path = "https://cactus.nci.nih.gov/chemical/structure/"
    	+ encodeURI(s.trim())
    	+ "/file?format=sdf&operator=remove_hydrogens"
     jme.__loadModel = function(data) {jme.loadM.apply(jme,[data]);Jmol.asDrawn();}
     jme._loadFile(path);
    }

    Jmol.asDrawn = function() {
      Jmol.script(jmol, "zap;set echo top left;echo working...;refresh;load DATA \"test\"" + jme._applet.jmeFile() + "end \"test\"");
    }