Re: [Jmol-users] Jmol 13.1.13 released - several new features

2013-02-22 Thread Egon Willighagen
On Fri, Feb 22, 2013 at 1:27 AM, Robert Hanson hans...@stolaf.edu wrote: Most notably, Jmol 13.1.13 reads PyMOL session files (.PSE). There is still work to be done to ensure faithful rendition, but it's a start. Nice! Do you also have in mind of writing such files? That would very nicely

[Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Simone Sturniolo
Hi, I'm trying to switch my JMol applet web page to JSMol - mainly to avoid all the problems related with ever increasing restrictive security policies for Java. I put all the main JSMol files in a folder, j2s in a subfolder, loaded the scripts: script type=text/javascript

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Paul Pillot
Order matters in your js files links I use the following declaration: script type=text/javascript src=jmol/JSmol.min.js/script script type=text/javascript src=jmol/j2s/j2sjmol.js/script That is with the minified version and without webGL. Paul Le 22 févr. 2013 à 12:43, Simone Sturniolo a écrit :

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Simone Sturniolo
Tried that. Every other order either increases the number of error messages, or leaves the situation unchanged. 2013/2/22 Paul Pillot paul.pil...@ac-orleans-tours.fr Order matters in your js files links I use the following declaration: script type=text/javascript src=jmol/JSmol.min.js/script

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Angel Herráez
Hello Simone #1 I believe (but am not sure) that with the latest versions you only need to call JSmol.min.js The call to j2sjmol.js will be done internally based on the path specufied in the Info variable. #2 Information in the Wiki is not up-to-date (must find time to do it, and the WIki was

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Angel Herráez
Ah, OK JSmol distribution is still not well roganized, I'm afraid. There's also a bit of confusion between Jmol-JSO and JSmol (which I'm planning to sort out and explain in the wiki) I suggest that you download from StOlaf. The link is in the wiki http://wiki.jmol.org/index.php/JSmol (there

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Simone Sturniolo
I used the new package and, as suggested, included only the JSmol.min.js script file. The result is a very similar error message, which now I can't manage to reproduce because Firefox keeps simply getting stuck when I try to load the page. I also lose all jQuery UI functionality that I had

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Simone Sturniolo
Ok, the error message came up again, it's: 2013/2/22 Simone Sturniolo simonesturni...@gmail.com I used the new package and, as suggested, included only the JSmol.min.js script file. The result is a very similar error message, which now I can't manage to reproduce because Firefox keeps

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Simone Sturniolo
Sorry, it seems like the mail was sent by mistake. The error message: TypeError: b._getElement(...).style is undefined ...!c(this._isInfoVisible=c,this._infoObject?this._infoObject._showInfo(c):b._get... JSmol.min.js (line 236) 2013/2/22 Simone Sturniolo simonesturni...@gmail.com Ok, the

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Simone Sturniolo
I know ^^, I sent another email right after that, sorry for the mistake! 2013/2/22 N David Brown hubd...@gmail.com You didn't list the error :-) On 22 February 2013 15:07, Simone Sturniolo simonesturni...@gmail.comwrote: Ok, the error message came up again, it's: 2013/2/22 Simone

Re: [Jmol-users] Jmol 13.1.13 released - several new features

2013-02-22 Thread Robert Hanson
On Fri, Feb 22, 2013 at 3:49 AM, Egon Willighagen egon.willigha...@gmail.com wrote: On Fri, Feb 22, 2013 at 1:27 AM, Robert Hanson hans...@stolaf.edu wrote: Most notably, Jmol 13.1.13 reads PyMOL session files (.PSE). There is still work to be done to ensure faithful rendition, but it's a

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Robert Hanson
If you send me a copy of the page or a link to it, I can help you track this down. Something simple, I'm sure. On Fri, Feb 22, 2013 at 6:46 AM, Simone Sturniolo simonesturni...@gmail.com wrote: Tried that. Every other order either increases the number of error messages, or leaves the

[Jmol-users] unsubscrube

2013-02-22 Thread Mochena, Mogus D.
-Original Message- From: Robert Hanson [mailto:hans...@stolaf.edu] Sent: Fri 2/22/2013 11:59 AM To: jmol-users@lists.sourceforge.net Subject: Re: [Jmol-users] Jmol 13.1.13 released - several new features On Fri, Feb 22, 2013 at 3:49 AM, Egon Willighagen egon.willigha...@gmail.com

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Simone Sturniolo
It's a bit of a big thing. 5 MB at least I'd say, all things included. How do you prefer me to send it? Simone 2013/2/22 Robert Hanson hans...@stolaf.edu If you send me a copy of the page or a link to it, I can help you track this down. Something simple, I'm sure. On Fri, Feb 22, 2013 at

Re: [Jmol-users] Problem with switching to JSMol

2013-02-22 Thread Robert Hanson
email is fine. I have time today to look at it. I'm sure it will only take a few minutes. On Fri, Feb 22, 2013 at 11:53 AM, Simone Sturniolo simonesturni...@gmail.com wrote: It's a bit of a big thing. 5 MB at least I'd say, all things included. How do you prefer me to send it? Simone

[Jmol-users] WebMO

2013-02-22 Thread Jennifer L. Muzyka
Does anybody know about a JSmol version of WebMO? We're going to have trouble doing computational chemistry experiments in our teaching labs without Java, since we use WebMO. I would appreciate any information or insights anybody can offer. Thanks. Jennifer Jennifer L. Muzyka Professor

Re: [Jmol-users] WebMO

2013-02-22 Thread Michael Evans
Jennifer, Looks like the last update to WebMO was in August 2012. Perhaps a version employing JSMol is in the works? Not sure. I don't see any reason why it shouldn't be possible...Jmol just reads the output of WebMO calculations; it doesn't do any of the calculations itself. BTW, I lived at

Re: [Jmol-users] WebMO

2013-02-22 Thread Robert Hanson
No sign of that yet. Is there a reason you do not have Java in your teaching labs? Is this just an IT department crack-down? St. Olaf is still supporting Java On Fri, Feb 22, 2013 at 12:08 PM, Jennifer L. Muzyka jennifer.muz...@centre.edu wrote: Does anybody know about a JSmol version of

[Jmol-users] Transfer show info from JSO to Javascript?

2013-02-22 Thread Dan Kirshner
Sorry, I'm just not getting how to do this. I'd like to get the quaternion info for the current model rotation and manipulate it in Javascript. I'm using the Jmol Javascript Object.  I'm happily running scripts with something like    var script = lots of commands;    Jmol.script (myJmol1,

Re: [Jmol-users] Transfer show info from JSO to Javascript?

2013-02-22 Thread Paul Pillot
Jmol.evaluate(myJmol1,script(show orientation)) will do ! -Paul Le 22 févr. 2013 à 20:27, Dan Kirshner a écrit : Sorry, I'm just not getting how to do this. I'd like to get the quaternion info for the current model rotation and manipulate it in Javascript. I'm using the Jmol Javascript

Re: [Jmol-users] Transfer show info from JSO to Javascript?

2013-02-22 Thread Robert Hanson
var q = Jmol.evaluate(myJmol, quaternion()) On Fri, Feb 22, 2013 at 1:27 PM, Dan Kirshner dan_kirsh...@yahoo.comwrote: Sorry, I'm just not getting how to do this. I'd like to get the quaternion info for the current model rotation and manipulate it in Javascript. I'm using the Jmol

Re: [Jmol-users] WebMO

2013-02-22 Thread Jennifer L. Muzyka
Bob, Java has been disabled on all campus computers at Centre. I think Centre's response is pretty reasonable, given that Homeland Security recommends disabling Java. See the article the ITS folks shared with me:

Re: [Jmol-users] WebMO

2013-02-22 Thread Jennifer L. Muzyka
Mike, Thanks for checking on the latest WebMO update. I contacted them and they say there's no way all that complex Java stuff can be done with JavaScript. On my reply, I copied Bob Hanson. He responded with details about JSmol that will hopefully get the WebMO folks thinking about the

Re: [Jmol-users] Transfer show info from JSO to Javascript?

2013-02-22 Thread Robert Hanson
sure, but quaternion() should do the same thing -- and we should think about the fact that with JSmol we don't need conversion from Java classes, since everything is JavaScript! Bob On Fri, Feb 22, 2013 at 1:51 PM, Paul Pillot paul.pil...@ac-orleans-tours.fr wrote:

Re: [Jmol-users] WebMO

2013-02-22 Thread Robert Hanson
Java is back working on Safari. I realize it's tough going up against an institution like Homeland Security. Browsers are now set up to ask first if you want access, and that seems to me a more reasoned response. On Fri, Feb 22, 2013 at 2:09 PM, Jennifer L. Muzyka jennifer.muz...@centre.edu

[Jmol-users] Drawing Options

2013-02-22 Thread Spencer Bliven
I've been trying to customized some jmol scripts and I had a couple questions. 1. Is there an option to change the length of the arrowhead for a 'draw arrow' or 'draw arrow arc' command? 2. What are the units for the 'scale' parameter for an arc? I've found that a value of 500 results

Re: [Jmol-users] Transfer show info from JSO to Javascript?

2013-02-22 Thread Dan Kirshner
Excellent, thanks. But where is it that I can learn that there such a thing as quaternion()? --Dan From: Robert Hanson hans...@stolaf.edu To: jmol-users@lists.sourceforge.net jmol-users@lists.sourceforge.net Sent: Friday, February 22, 2013 1:47 PM Subject:

Re: [Jmol-users] Transfer show info from JSO to Javascript?

2013-02-22 Thread N David Brown
http://chemapps.stolaf.edu/jmol/docs/ On 22 February 2013 23:34, Dan Kirshner dan_kirsh...@yahoo.com wrote: Excellent, thanks. But where is it that I can learn that there such a thing as quaternion()? --Dan -- *From:* Robert Hanson hans...@stolaf.edu

Re: [Jmol-users] Drawing Options

2013-02-22 Thread Robert Hanson
On Fri, Feb 22, 2013 at 5:23 PM, Spencer Bliven sbli...@ucsd.edu wrote: I've been trying to customized some jmol scripts and I had a couple questions. 1. Is there an option to change the length of the arrowhead for a 'draw arrow' or 'draw arrow arc' command? size overall, but not

Re: [Jmol-users] Transfer show info from JSO to Javascript?

2013-02-22 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/docs/?search=quaternion%28%29#jmolmath *The quaternion q = quaternion(script(show rotation)) (or, in Jmol 12.2, just q = quaternion()) measures how much the model has been rotated from its reference position (with x to the right, y to the top, and z toward the

Re: [Jmol-users] Drawing Options

2013-02-22 Thread Andreas Prlic
I'm running Jmol 12.0.22 through BioJava. We need to get BioJava gurus to move to Jmol 13. (Andreas? Peter?) Maybe there is a newer version of BioJava than what you are using. Good point. - I upgraded the BioJava to the latest Jmol version that is available from Maven central - 13.0.10.