// 1/21/2013 10:54:15 PM -- adds image handling
var jmolApplet0; // set up in HTML table, below
// logic is set by indicating order of USE -- default is HTML5 for this test page, though
var use = "HTML5" // JAVA HTML5 WEBGL IMAGE are all otions
var s = document.location.search;
// Developers: The _debugCode flag is checked in j2s/core/core.z.js,
// and, if TRUE, skips loading the core methods, forcing those
// to be read from their individual directories. Set this
// true if you want to do some code debugging by inserting
// System.out.println, document.title, or alert commands
// anywhere in the Java or Jmol code.
Jmol._debugCode = (s.indexOf("debugcode") >= 0);
jmol_isReady = function(applet) {
Jmol._getElement(applet, "appletdiv").style.border="1px solid blue"
}
var xxxx = document.location.search
if (xxxx.length == 5 || xxxx.length == 0) {
xxxx = (xxxx + "?1crn").substring(1,5)
script = 'h2oOn=true;set animframecallback "jmolscript:if (!selectionHalos) {select model=_modelNumber}";'
+'set errorCallback "myCallback";'
+'set defaultloadscript "isDssp = false;set defaultVDW babel;if(!h2oOn){display !water}";'
+'set zoomlarge false;set echo top left;echo loading XXXX...;refresh;'
+'load "http://www.rcsb.org/pdb/files/XXXX.pdb";set echo top center;echo XXXX;'
+'spacefill off;wireframe off;cartoons on;color structure;'
script = script.replace(/XXXX/g, xxxx)
} else {
script = unescape(xxxx.substring(1))
}
var Info = {
width: 450,
height: 450,
debug: false,
color: "white",
addSelectionOptions: false,
serverURL: "http://chemapps.stolaf.edu/jmol/jsmol/php/jsmol.php",
use: "HTML5",
j2sPath: "j2s",
readyFunction: jmol_isReady,
script: script,
//jarPath: "java",
//jarFile: (useSignedApplet ? "JmolAppletSigned.jar" : "JmolApplet.jar"),
//isSigned: useSignedApplet,
//disableJ2SLoadMonitor: true,
disableInitialConsole: true
//defaultModel: "$dopamine",
//console: "none", // default will be jmolApplet0_infodiv
}
Models = []
template = "xid='%1';load =%1|%2 (%1)"
function addModel(xxxx, text) {
Models.push(template.replace(/\%1/g, xxxx).replace(/%2/g, text).split("|"))
}
addModel("1crn", "small")
addModel("1blu","Fe/S")
addModel("1bna","b-DNA")
addModel("1d66","transcription")
// these are conveniences that mimic behavior of Jmol.js
function jmolCheckbox(script1, script0,text,ischecked) {Jmol.jmolCheckbox(jmolApplet0,script1, script0, text, ischecked)}
function jmolButton(script, text) {Jmol.jmolButton(jmolApplet0, script,text)}
function jmolHtml(s) { document.write(s) };
function jmolBr() { jmolHtml("") }
function jmolMenu(a) {Jmol.jmolMenu(jmolApplet0, a)}
jmolApplet0 = Jmol.getApplet("jmolApplet0", Info)
Jmol.setButtonCss(null,"style='width:160px'")
Jmol.setMenuCss(null,"style='width:160px'")
jmolButton("if (!xid) { xid = '1crn'};var x = prompt('Enter a four-digit PDB ID',xid);if (!x) { quit }; xid = x; load @{'=' + x}","Load PDB by ID")
jmolBr()
jmolCheckbox("set pdbAddHydrogens TRUE","set pdbAddHydrogens FALSE","with hydrogens",false)
jmolBr()
jmolCheckbox("set defaultLoadFilter 'biomolecule 1'","set defaultLoadFilter ''","biomolecule 1",false)
jmolBr()
jmolHtml("Examples:")
jmolBr()
jmolMenu(Models)
jmolBr()
jmolButton("if (!molname) { molname = 'tylenol'};var x = prompt('Enter the name or identifier (SMILES, InChI, CAS) of a molecule',molname);if (!x) { quit }; molname = x; load @{'$' + molname}","Load MOL by NAME")
jmolBr()
jmolButton("load ?","Load URL")
jmolBr()
jmolButton("load ?","Load FILE")
jmolBr()
jmolButton("script ?.spt","Load SCRIPT")
jmolBr()
jmolBr()
jmolCheckbox("h2oOn=true;display *","h2oOn=false;display !water","display water",true)
jmolBr()
jmolBr()
jmolButton("write FILE ?","Save FILE")
jmolBr()
jmolButton("write IMAGE ?.jpg","Save JPG")
jmolBr()
jmolButton("write IMAGE ?.png","Save PNG")
jmolBr()
jmolButton("write ?.jmol","Save Jmol")
jmolBr()
jmolButton("write PNGJ ?.png","Save PNG+Jmol")
jmolBr()
jmolButton("write STATE ?.spt","Save STATE")
jmolBr()
jmolBr()
Jmol.setButtonCss(null,"style='width:120px'")
jmolButton("color cpk")
jmolButton("color group")
jmolButton("color amino")
jmolButton("color structure")
jmolBr()
jmolButton("trace only")
jmolButton("cartoon only")
jmolButton("backbone only")
jmolButton("spacefill only;spacefill 23%;wireframe 0.15","ball&stick")
jmolBr()
Jmol.setButtonCss(null,"style='width:60px'")
jmolButton("Model")
Jmol.setButtonCss(null,"style='width:50px'")
jmolButton("model; if (!isDssp) { save structure s1; isDssp = true; calculate structure DSSP;cartoons only;color structure}", "DSSP")
Jmol.setButtonCss(null,"style='width:50px'")
jmolButton("model; if (isDssp) { restore structure s1; isDssp = false; cartoons only;color structure}", "Auth")
Jmol.setButtonCss(null,"style='width:160px'")
jmolButton("Ramachandran relative")
jmolButton("Quaternion difference")
jmolBr()
Jmol.setButtonCss(null,"style='width:100px'")
jmolButton("console")
Jmol.jmolCommandInput(jmolApplet0)
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