Re: [Jmol-users] JME/Model Kit Mode and PDBs

2010-11-21 Thread Robert Hanson
Ooops. Fixed for Jmol 12.1.24 and Jmol 12.0.23. Uploading now On Sat, Nov 20, 2010 at 11:24 AM, Michael Evans wrote: > Hey all—I would be interested in the "write state" function working with > combinations of PDB structures and inline models (built by importing from > JME or via model kit m

[Jmol-users] JME/Model Kit Mode and PDBs

2010-11-20 Thread Michael Evans
Hey all—I would be interested in the "write state" function working with combinations of PDB structures and inline models (built by importing from JME or via model kit mode), for docking purposes. Given the recent work that's been done on "dragminimize" and "dragminimizemolecule," it seems like a n

Re: [Jmol-users] JME and Jmol in wordpress

2010-10-15 Thread Angel Herráez
> Angel, in Wordpress i can use just jmolapplet.jar and i receive no > error of reader missing. Of course. That is the "monolithic" applet that contains all components. The standard procedure (e.g. when you use Jmol.js and jmolInitialize() with no special parameters) calls jmolApplet0.jar w

Re: [Jmol-users] JME and Jmol in wordpress

2010-10-15 Thread Mio_libero
Angel, in Wordpress i can use just jmolapplet.jar and i receive no error of reader missing. Pino > Wonderful, Pino! Bravissimo! > > I'm glad that you could make it work. Congratulations. > > It will be appreciated by other users if you write the details > relevant to how to configure WordPress f

Re: [Jmol-users] JME e Jmol in wordpress

2010-10-14 Thread Angel Herráez
> Hi, i forgot to tell that i had to use the tag to insert > Jmol. WIth the Javascript code it doesn't work, giving always the error > JmolAplet.class not found. Maybe it cannot find Jmol.js? Usually, when Jmol.js is not found the error is "jmolInitialize() is not defined" The potential pro

Re: [Jmol-users] JME and Jmol in wordpress

2010-10-14 Thread Angel Herráez
Wonderful, Pino! Bravissimo! I'm glad that you could make it work. Congratulations. It will be appreciated by other users if you write the details relevant to how to configure WordPress for JmolApplet (and maybe JME applet) in the wiki, http://wiki.jmol.org/index.php/Jmol_in_Wikis_and_Blogs

[Jmol-users] JME e Jmol in wordpress

2010-10-14 Thread Mio_libero
Hi, i forgot to tell that i had to use the tag to insert Jmol. WIth the Javascript code it doesn't work, giving always the error JmolAplet.class not found. Maybe it cannot find Jmol.js? Pino -- Beautiful is writing sa

Re: [Jmol-users] JME

2010-10-13 Thread Mio_libero
Hi Angel, i put all the files in the directory so now it is working. Next move it is to implement it in wordpress. Thanks Pino > On 12 Oct 2010 at 22:21, Mio_libero wrote: > >>Yes true. This error i found after fixing the path. is it as if it can >> read the molfile? > I would say that it is

Re: [Jmol-users] JME

2010-10-12 Thread Angel Herráez
On 12 Oct 2010 at 22:21, Mio_libero wrote: > Yes true. This error i found after fixing the path. is it as if it can > read the molfile? I would say that it is not finding some of the needed jmolApplet0*.jar files Make sure you have all files from the Jmol zip distribution present in the folde

Re: [Jmol-users] JME

2010-10-12 Thread Mio_libero
Yes true. This error i found after fixing the path. is it as if it can read the molfile? Pino > You need to have all the jmolApplet0*.jar files available for the page. > > The error I'm getting in your page is not what you mention, but this: >File reader was not found:Mol > which suggests th

Re: [Jmol-users] JME

2010-10-12 Thread Angel Herráez
You need to have all the jmolApplet0*.jar files available for the page. The error I'm getting in your page is not what you mention, but this: File reader was not found:Mol which suggests that some of the applet files are not available Also, the Jmol applet popup menu is not opening.

Re: [Jmol-users] JME

2010-10-12 Thread Angel Herráez
Hello Pino On 12 Oct 2010 at 20:15, Mio_libero wrote: > When i try to transfer the structure to Jmol, nothing happens and > firefox gives me an error > > Errore: jmolLoadInlineScript is not defined > What has gone wrong? That sounds like you don't have Jmol.js accesible. Check your files and p

[Jmol-users] JME

2010-10-12 Thread Mio_libero
Angel, I downloaded your page "testingJME" on my website http://singa.altervista.org/chimica/JME.htm When i try to transfer the structure to Jmol, nothing happens and firefox gives me an error Errore: jmolLoadInlineScript is not defined File sorgente: http://singa.altervista.org/chimica/JME.ht

Re: [Jmol-users] JME Question

2010-09-17 Thread Robert Hanson
Oh, sure --- the old Java string problem, this time with JME. make that: ( "" + document.getElementById(jme1).jmeFile()).split("|"); with parens around the converted string On Thu, Sep 16, 2010 at 9:28 PM, Otis Rothenberger wrote: > Bob, > > > what's doing the split? Your JavaScript? > > I sh

Re: [Jmol-users] JME Question

2010-09-16 Thread Otis Rothenberger
Bob, > what's doing the split? Your JavaScript? I should have given you the JavaScript that set up that Jmol Script: mods = document.getElementById(jme1).jmeFile().split("|"); var modA = mods[0]; var modB = mods[1]; jmolScript("mod1 = '" + modA + "';mod2 = '" + modB

Re: [Jmol-users] JME Question

2010-09-16 Thread Robert Hanson
On Thu, Sep 16, 2010 at 3:38 PM, Otis Rothenberger wrote: > Bob, > > I'm having a Safari problem with a two model load from JME to Jmol. I > think it's actually a JavaScript problem with the split function, and > I'm pretty sure I can clear it up. In tracking this down, however, I > noticed somet

[Jmol-users] JME Question

2010-09-16 Thread Otis Rothenberger
Bob, I'm having a Safari problem with a two model load from JME to Jmol. I think it's actually a JavaScript problem with the split function, and I'm pretty sure I can clear it up. In tracking this down, however, I noticed something that I want to understand. Here's the Console History: mod1

Re: [Jmol-users] JME Editor Information

2010-06-29 Thread Robert Hanson
...just like they were JME files... On Tue, Jun 29, 2010 at 5:50 PM, Robert Hanson wrote: > Yes, and Jmol will read those mol files and convert them to 3D just like > theyif you use > > load "xxx.mol" filter "2D" > > (although in the latest prerelease version of Jmol there could be a bug > ther

Re: [Jmol-users] JME Editor Information

2010-06-29 Thread Robert Hanson
Yes, and Jmol will read those mol files and convert them to 3D just like theyif you use load "xxx.mol" filter "2D" (although in the latest prerelease version of Jmol there could be a bug there. ) Bob On Sun, Jun 27, 2010 at 9:03 AM, Otis Rothenberger wrote: > Bob, > > This is a point of inform

Re: [Jmol-users] JME Editor Information

2010-06-28 Thread Angel Herráez
> When the JME editor creates a molfile with JME.molFile(), it saves the > same stereo information contained in the SMILES and the proprietary JME > file. Where the JME file uses -1(up) and -2(down), the JME created > molfile puts a 1(up) and 6(down, go figure) in the connection table's > first

[Jmol-users] JME Editor Information

2010-06-27 Thread Otis Rothenberger
Bob, This is a point of information that you may already know. I just discovered it, so I'll point it out just in case it's new information to you or other JME users. When the JME editor creates a molfile with JME.molFile(), it saves the same stereo information contained in the SMILES and the

Re: [Jmol-users] JME Stereo Bonds

2010-04-15 Thread Otis Rothenberger
Bob, I like the no jitter approach, and I also enabled it on the model editor. I had tried to do this on an earlier version on Jmol, and I could not get it to work. The docs for 12.0 made it clear how to do this. Sorry about that. The 3D to 2D thing was an attempt at humor. For our model kit

Re: [Jmol-users] JME Stereo Bonds

2010-04-15 Thread Robert Hanson
Otis -- by the way, I made the minimization "silent" automatically, so you won't see the jittering in the latest version of Jmol. Are you able to go 3D to 2D? I'm not finding that I suggest a title="..." attribute in those MM Load and MO Load options. I have no idea what MM and MO refer to, bu

[Jmol-users] JME Stereo Bonds

2010-04-14 Thread Otis Rothenberger
Ok, with a little help from Peter Ertl, I think I understand the JME's 4 stereo bond rotation. Maybe this was all resolved on the group exchange previously, but I missed it if it was published. The four stereo bond rotation will only work if it is relevant to two attached chiral carbon atoms. F

Re: [Jmol-users] jme mole files ? in Jmol?? or code?

2006-12-20 Thread Angel Herraez
Hi I barely know anything about PHP, but on the javascript business I would say that you must pass to jmolLoadInline the data, not the PARAM tag i.e., instead of var mol =\';'; ?> I would say var mol = (I'm not sure about the quotes, but I hope you get my point) The other point is that > and

Re: [Jmol-users] jme mole files ? in Jmol?? or code?

2006-12-19 Thread Timothy Driscoll
On Dec 19, 2006, at 8:02 PM, H. Paul Benton wrote: > > Something is a bit strange, I think the variable isn't getting > set up hi Paul, it is tough to know without seeing more info. there could be many reasons why the applet won't load. do you have a url that you can post? or can you

Re: [Jmol-users] jme mole files ? in Jmol?? or code?

2006-12-19 Thread H. Paul Benton
Tim,     Something is a bit strange, I think the variable isn't getting set up because I took out the bit so it was:

Structure: