Re: [Jmol-users] Atom count from variable

2014-02-08 Thread Robert Hanson
OK, I thought about this a bit more, and what Rolf wrote is totally reasonable. Next update involves a HUGE simplification: bug fix: interpretation of x and @x in select commands and {...} phrases -- Variable substitution has been unintuitive and inconsistent. For instance: x = C or

Re: [Jmol-users] Jmol open command freezing

2014-02-08 Thread Robert Hanson
do you have hundreds of files in that directory? Sometimes that can slow it down. On Fri, Feb 7, 2014 at 1:08 PM, James ja...@ryley.com wrote: Hi Robert, Thanks for the suggestion. I do have a VPN set up, but no mapped drives, so I looked into that a little but it did not seem to be

Re: [Jmol-users] Jsmol fails to load the pdb file in Chrome, works in Firefox

2014-02-08 Thread Robert Hanson
I would start by upgrading to Jmol 14.1.8 from Jmol 13.2.7 http://chemapps.stolaf.edu/jmol/zip/jmol-14.1.8_2014.02.08.zip 13.2.7 is ages ago! Many many improvements since last July... On Fri, Feb 7, 2014 at 1:43 PM, Dina Schneidman duho...@gmail.com wrote: Thanks, I removed .zip and it

Re: [Jmol-users] Jmol open command freezing

2014-02-08 Thread James
No, and it's not slow, it's frozen. I've let it sit there for 5+ minutes. I suspect this is a java issue, not a jmol one. While googling I've seen old reports of similar behavior in other programs and browsers -- but those were old versions of Java and that doesn't explain why this just started

Re: [Jmol-users] messageCallback question

2014-02-08 Thread Robert Hanson
Jmol.setXHTML = function(id) is almost never used and hasn't been tested much. This is an HTML5 app, not XHTML. What is calling init_jsmol(state), and when? With jQuery now, it's much easier. Check some of the examples in jsmol.zip. http://chemapps.stolaf.edu/jmol/jsmol/images.htm is a

Re: [Jmol-users] href is not defined error in JSmol.min.js 14.1.8

2014-02-08 Thread Robert Hanson
OK, that's probably my recent attempt to exclude localhost from the tracker On Fri, Feb 7, 2014 at 5:39 PM, Angel Herráez angel.herr...@uah.es wrote: I just started using 14.1.8 in a page and I have a strange error: - when page is local (file:// ), JSmol loads fine the model + script -

Re: [Jmol-users] href is not defined error in JSmol.min.js 14.1.8

2014-02-08 Thread Robert Hanson
Yes, it's this line in JSmol.full.js: var isLocal = (isFile || ref.indexOf(http://localhost;) == 0 || href.indexOf(http://127.;) == 0); That should read var isLocal = (isFile || ref.indexOf(http://localhost;) == 0 || ref.indexOf(http://127.;) == 0); On Sat, Feb 8, 2014 at 12:41

Re: [Jmol-users] href is not defined error in JSmol.min.js 14.1.8

2014-02-08 Thread Robert Hanson
OK, so that version is dead! On Sat, Feb 8, 2014 at 12:42 PM, Robert Hanson hans...@stolaf.edu wrote: Yes, it's this line in JSmol.full.js: var isLocal = (isFile || ref.indexOf(http://localhost;) == 0 || href.indexOf(http://127.;) == 0); That should read var isLocal = (isFile ||

Re: [Jmol-users] Spectra Predict Again

2014-02-08 Thread Robert Hanson
What 2D conversion? I thought you had JSME set aside. The spectrum is coming from nrmdb, at EPFL, in Lausanne, Switzerland. That service takes a MOL file but returns a *different* MOL file. So your initial stucture in Jmol will be replaced. On Fri, Feb 7, 2014 at 5:12 PM, Otis Rothenberger

Re: [Jmol-users] Jmol open command freezing

2014-02-08 Thread Robert Hanson
Open the official Java console -- that one is just for Jmol. Look for a long list of error report. It's opened using an icon on your Windows main toolbar, perhaps off it on a submenu that also has Control Panel. Or you can go into Control Panel and start the Java control suite and tell it to open

Re: [Jmol-users] href is not defined error in JSmol.min.js 14.1.8

2014-02-08 Thread Angel Herráez
Ok, I've patched my copy of JSmol.min.js and it's working fine now. Thanks! -- Managing the Performance of Cloud-Based Applications Take advantage of what the Cloud has to offer - Avoid Common Pitfalls. Read the

[Jmol-users] Jmol 14.1.8 redux

2014-02-08 Thread Robert Hanson
This one is much better. (And usable!) http://chemapps.stolaf.edu/jmol/zip/jmol-14.1.8_2014.02.08.zip There were several things found yesterday. Thanks for testing... Keep it coming! In that last round I broke {*}[0] and all such selections using [n] after {xxx}. Good news, though, is

Re: [Jmol-users] messageCallback question

2014-02-08 Thread Charles Harrison Shubert
Thanks, Bob! I’ll download the latest build this weekend. My app calls several initialization functions and init_jsmol is one of them. I initialize my UI (view), the state of my app (controller and model), then I initialize jsmol. I want to use the callbacks to populate the model. The

[Jmol-users] How to launch a jmol script in background (without UI) on a webserver

2014-02-08 Thread Riccardo
Hello to the Jmol mailing list, this is my first post. I wrote a CGI python script that I will carry over for clarity: === *#!/usr/bin/python# -*- coding: utf-8 -*-import cgiimport cgitb; cgitb.enable() # abilitare solo per il

Re: [Jmol-users] messageCallback question

2014-02-08 Thread Robert Hanson
Great, so if that is all you are doing, there is no need for the XHTML business. Really that's there just because it was in Jmol 11, and actually it was almost never used. XHTML was just too too difficult all around. HTML5 is way better. So what you would do to populate a div in the jQuery way is

[Jmol-users] General debugging suggestions from Bob

2014-02-08 Thread Robert Hanson
Some general debugging suggestions. -- combine Jmol.script calls when possible. It really doesn't matter, but there is no advantage to sending multiple calls. They just go on a queue one after another. -- realize Jmol.script is an asynchronous interface. It will not execute immediately. The

Re: [Jmol-users] How to launch a jmol script in background (without UI) on a webserver

2014-02-08 Thread Robert Hanson
Welcome, Riccardo. A masterful script. You are talking to a group that generally doesn't use Python, probably, ... at least, not me, but... Q: When you say downloaded do you mean uploaded (as to the server)? What kind of file are we talking about? First thing I would say is to use JmolData.jar,

Re: [Jmol-users] Spectra Predict Again

2014-02-08 Thread Otis Rothenberger
Bob, Thanks for the help. I think I have this under control now. I moved the page to: http://chemistry.illinoisstate.edu/osrothen/predictor.htm That's where I wanted it originally, but I hadn't yet figured out the path settings. The page is called by query a string from the model kit that