[Jmol-users] Fwd: Jmol for iPads?

2012-03-29 Thread Rzepa, Henry S
Begin forwarded message: From: Otis Rothenberger osrot...@chemagic.com Subject: Re: [Jmol-users] Jmol for iPads? Date: 29 March 2012 15:44:43 GMT+01:00 To: jmol-users@lists.sourceforge.net Reply-To: jmol-users@lists.sourceforge.net I'm saddened by the fact that for the foreseeable

Re: [Jmol-users] MediaWiki Plugin: loading molecular surfacesintoaWiki

2012-03-04 Thread Rzepa Henry
On 2 Mar 2012, at 16:54, Robert Hanson wrote: Well, then I propose /*file*/ within a script is adapted by MediaWiki to change that to a proper file name. On Fri, Mar 2, 2012 at 9:51 AM, Nicolas Vervelle nverve...@gmail.comwrote: an alternative which by-passes the file path naming

Re: [Jmol-users] MediaWiki Plugin: loading molecular surfacesintoaWiki

2012-03-02 Thread Rzepa, Henry S
On 2 Mar 2012, at 13:23, Angel Herráez wrote: I agree with Nico. The location of uploades files in MW is uncertain. The .jmol file format is in my opinion the way out of this problem: upload a single file with everything included. A single file as a zip (the same way that jar files are

Re: [Jmol-users] MediaWiki Plugin: loading molecular surfaces into aWiki

2012-03-01 Thread Rzepa, Henry S
On 1 Mar 2012, at 14:24, Jaime Prilusky wrote: On Mar 1, 2012, at 3:35 PM, Rzepa, Henry S wrote: The MediaWiki extension has the following form Overall, this amounts to load isosurface.xyz;isosurface color orange purple isosurface.jvxl translucent; Yes, putting the full filename path

Re: [Jmol-users] MediaWiki Plugin: loading molecular surfaces intoaWiki

2012-03-01 Thread Rzepa, Henry S
On 1 Mar 2012, at 15:09, Jaime Prilusky wrote: On Mar 1, 2012, at 4:50 PM, Nicolas Vervelle wrote: If you have ideas of what syntax should be used in the extension to make using it simple, don't hesitate. If you keep the isosurface file together with the model file, then a simple

Re: [Jmol-users] Collada file exchange

2012-01-22 Thread Rzepa Henry
On 21 Jan 2012, at 12:59, Robert Hanson wrote: Looks totally doable. What we need to follow up on this are: a) A reader/viewer we can use for testing. b) A bunch of examples. (OK, I have those from

[Jmol-users] Collada file exchange

2012-01-20 Thread Rzepa, Henry S
The recent announcement by Apple of an interactive e-book authoring environment (iBooks Author) has an example of a molecule captured using the Collada format http://www.khronos.org/collada/ Can I ask if it might be possible for Jmol to emit this format (or should we go the iBabel route?).

Re: [Jmol-users] Mobile molecular viz via WebGL

2011-12-06 Thread Rzepa Henry
On 5 Dec 2011, at 22:06, Paul Pillot wrote: ChemDoodle is proprietary, but Chemdoodle web components (that's what Bob referred to) is open source (GPL) It uses javascript and doesn't need Jmol on the server side. You can feed the script with a PDB file and it will eventually render it in

Re: [Jmol-users] ho ho! show NMR

2011-10-27 Thread Rzepa Henry
On 27 Oct 2011, at 06:12, Robert Hanson wrote: Taking the lead from Otis Rothenberger, I have added the following command to Jmol: show NMR Could also add the simulator as an alternative to the predictor http://www.nmrdb.org/simulator

Re: [Jmol-users] Jmol Android suggestions?

2011-10-25 Thread Rzepa, Henry S
(By the way, Wow! Do I LOVE this little dual-core Galaxy. I am very happy I didn't jump for an iPad now; this is a real computer, not just a large iPhone!) I'm starting to catch on to the tablet idea, Bob, If you have any spare time (!), I would be interested in how much having the

[Jmol-users] Changing the phase of a signed surface? One solution...

2011-10-11 Thread Rzepa, Henry S
Thaks to Pshemak Maslak for a hint. As usual, simply asking a question focuses wonderfully. So to summarise: If generating an MO from a cube, then something along the lines of isosurface MO cutoff @x sign blue red HHa_mo15.cub; will generate jvxl with these colours. The simplest way

[Jmol-users] Changing the phase of a signed surface? One solution...

2011-10-11 Thread Rzepa, Henry S
To avoid confusion regarding my last post, I would elaborate that in isosurface MO cutoff @x sign blue red HHa_mo15.cub; @x is a variable, and would normally be given the explicit value eg 0.02 As for the two lines in the jvxl colorNegative=[x00] colorPositive=[xffa500] I now

[Jmol-users] Changing the phase of a signed surface?

2011-10-10 Thread Rzepa Henry
I am loading two MO surfaces thus load HHa_mo15.xyz;isosurface HHa_mo15.jvxl translucent;isosurface append HHa_mo17.jvxl translucent; I want to show the overlap between two MOs. It is of course a 50% probability that the phases will match to show the effect I want. Can anyone offer a

Re: [Jmol-users] Jmol/MediaWiki use in templates?

2011-09-14 Thread Rzepa, Henry S
The issue I reported is now solved for MediaWiki 1.17 (thanks Nico!). We are still testing, but if anyone is desparate, contact me (or Nico). On 14 Sep 2011, at 09:11, Egon Willighagen wrote: On Wed, Sep 14, 2011 at 10:09 AM, Egon Willighagen egon.willigha...@gmail.com wrote:

Re: [Jmol-users] Jmol and NCIPLOT

2011-06-08 Thread Rzepa Henry
On 8 Jun 2011, at 14:50, Robert Hanson wrote: This is better: http://www.youtube.com/watch?v=AilBZeeeETk Bob, could you invert the rainbow? Its just that Julia uses blue = attractive and you are using red = attractive?

Re: [Jmol-users] Jmol and NCIPLOT

2011-06-08 Thread Rzepa Henry
On 8 Jun 2011, at 15:09, Robert Hanson wrote: I'm not going to remake the movie -- these aren't her colors anyway, because this would all be green. I just left the colors there because it was more interesting. I just dont want multiple colour schemes out there. Julia uses +5 to -5

Re: [Jmol-users] Jmol and NCIPLOT

2011-06-08 Thread Rzepa Henry
On 8 Jun 2011, at 15:09, Robert Hanson wrote: I'm not going to remake the movie -- these aren't her colors anyway, because this would all be green. I just left the colors there because it was more interesting. Bob, Between colorscheme translucent bgyorand FULLYLIT

Re: [Jmol-users] Stereographic rendering

2011-04-18 Thread Rzepa Henry
On 18 Apr 2011, at 01:23, tvrb wrote: wagquack wrote: However I did not find the option described in the standalone application? Could somebody please help me and tell me if this is possible ? wagquack, it looks like your article shows exactly how to get stereographic 3d. Open a

Re: [Jmol-users] Finally! A nice cyclohexane chair/chair flip demo

2011-02-23 Thread Rzepa Henry
On 23 Feb 2011, at 01:33, Robert Hanson wrote: Well, at least I think so http://chemapps.stolaf.edu/jmol/docs/examples-12/jmol-flot-energy.htm?model=data/cyclohexaneFlip.jmol Please let me know if that does not work for you. Bob, The issue of whether the path passes through a boat

[Jmol-users] webGL = Jmol

2011-02-13 Thread Rzepa, Henry
I note on this site the intention to fully match the functionality of Jmol using WebGL technologies http://www.ichemlabs.com/1201 and you can try http://www.molecularmodelingbasics.blogspot.com/ using a WebGL supported browser (I use WebKit version of Safari). No doubt Apple will

Re: [Jmol-users] Presentation at ICSTI-2011

2011-02-07 Thread Rzepa Henry
On 7 Feb 2011, at 14:20, Robert Hanson wrote: Jmol users, Here's a link to the Prezi presentation I'm planning to make at the International Council for Scientific and Technical Information Winter Workshop tomorrow in Redmond, Washington. The focus of the workshop is on Multimedia and

Re: [Jmol-users] Question about XML formats for chemistry

2010-11-22 Thread Rzepa, Henry
Hi everyone, I am trying to enhance the http://wiki.jmol.org/index.php/MediaWikiJmol MediaWiki Extension to automatically display with some molecule files in Wikipedia. I want to start with file formats recognized by Jmol that are using XML syntax, because it seems easier to Can someone

[Jmol-users] The future of Java and OS X

2010-11-12 Thread Rzepa, Henry
Looks more promising http://www.appleinsider.com/articles/10/11/12/oracle_and_apple_announce_openjdk_for_java_on_mac_os_x.html -- Professor Henry S Rzepa. +44 (020) 7594 5774 (Voice); http://www.ch.ic.ac.uk/rzepa/ /rzepa/blog Dept. Chemistry, Imperial College London, SW7 2AZ, UK.

Re: [Jmol-users] [Jmol-developers] Worrying news for Mac users!

2010-10-22 Thread Rzepa, Henry
At 11:24 +0100 22/10/10, Egon Willighagen wrote: On Fri, Oct 22, 2010 at 12:16 PM, Rzepa, Henry h.rz...@imperial.ac.uk wrote: http://www.theregister.co.uk/2010/10/21/apple_threatens_to_kill_java_on_the_mac/ As of the release of Java for Mac OS X 10.6 Update 3, the version of Java

Re: [Jmol-users] Molecular graphics on ipad/iPhone

2010-07-25 Thread Rzepa, Henry
fun! On Sat, Jul 24, 2010 at 3:10 PM, Thomas Stout mailto:thomasjst...@gmail.comthomasjst...@gmail.com wrote: Just an FYI... I ran across this today: http://www.molsoft.com/ipad.htmlhttp://www.molsoft.com/ipad.html I note with interest that whilst the iPad can receive (by email or iTunes)

[Jmol-users] From Jmol to 3D-PDF

2010-07-23 Thread Rzepa, Henry
I gave something along the following a try using 12.0.RC27_dev (signed applet) isosurface laplacian cutoff 0.2 sign C5_lap.cube;color isosurface translucent;write C5.idtf; and it produced a .idtf and a .idtf.tex file of non zero length. But they were very small (4k/8K) and looked empty to

[Jmol-users] Webcite and Jmol

2010-04-18 Thread Rzepa, Henry
Can anyone cast light on the issue described at http://www.ch.ic.ac.uk/rzepa/blog/?p=1930 ? -- +44 (020) 7594 5774 (Voice); Blog: http://www.ch.ic.ac.uk/rzepa/blog/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected

[Jmol-users] http://www.xmlvm.org/iphone/

2010-04-08 Thread Rzepa, Henry
If you have not seen it, take a look at http://touchpress.com/ The e-book contains rotating 3D models, and even Stereo (with appropriate glasses). At the risk of sounding like a broken record (what is the modern metaphor for this?), I would like to put soundings out again for eg

[Jmol-users] Entities in labels?

2010-01-23 Thread Rzepa, Henry
I would like to place a label on an atom which contains eg a greek letter. Clearly, since the normal way of declaring an entity, ie delta; is not possible, since ; is a reserved character in scripts, I tried eg delta%3B (%3B is the escape code for ;. But that does not work either.

Re: [Jmol-users] Jmol and interactive 3D pdf figures

2009-12-19 Thread Rzepa, Henry
I would therefore advocate making this option as easy as possible to use within Jmol. In my view, interactive 3D pdf figures should really be the rule rather than the exception in scientific publishing, and Jmol could lead the way. Publishers are likely to love interactive PDF, since it is

Re: [Jmol-users] Jmol and interactive 3D pdf figures

2009-12-19 Thread Rzepa, Henry
It's not clear to me if many publishers yet have a coherent strategy regarding interactive figures. I have had around five publishers accept the concept of Jmol-enhanced interactive figures (the latest being Science). However, it has to be said that the first publisher to do so (about 4 years

[Jmol-users] Fuki 3D File format: MPO+JPEG

2009-12-04 Thread Rzepa, Henry
Fuji have recently introduced a 3D camera, and with it a print service onto so-called lenticular prints. The format they use for 3D is MPO+JPEG http://www.fujifilm.com/products/3d/camera/finepix_real3dw1/specifications/index.html

Re: [Jmol-users] Jmol in blogsite

2009-11-16 Thread Rzepa, Henry
Hi, There are 2 pages on the wiki for this : http://wiki.jmol.org/index.php?title=Jmol_in_Wikis_and_Blogshttp://wiki.jmol.org/index.php?title=Jmol_in_Wikis_and_Blogs http://wiki.jmol.org/index.php?title=CMS_Using_Jmolhttp://wiki.jmol.org/index.php?title=CMS_Using_Jmol You can expand it with your

Re: [Jmol-users] Can I get the Jmol content as CML?

2009-10-30 Thread Rzepa, Henry
Hi all, is Jmol still able to save the content? For example as CML or perhaps MDL molfile or XYZ? As it happens, Bob and I have been having a discussion about eg saving XYZ (with vibrational vectors). Bob's documentation does describe the process, although of course one has to use the

Re: [Jmol-users] Can I get the Jmol content as CML?

2009-10-30 Thread Rzepa, Henry
On Fri, Oct 30, 2009 at 3:03 PM, Rzepa, Henry h.rz...@imperial.ac.uk wrote: As it happens, Bob and I have been having a discussion about eg saving XYZ (with vibrational vectors). Bob's documentation does describe the process, although of course one has to use the signed applet to use

Re: [Jmol-users] ChemDoodle = Jmol?

2009-08-26 Thread Rzepa, Henry
There do have some iPhone/iPod touch app for 3D molecule viewing. Here is one http://www.sunsetlakesoftware.com/molecules . I think there is a connection of sorts between the above app and Jmol. The app I think relies on the original Roger Sayle Rasmol opensource codes; I presume it was

[Jmol-users] ChemDoodle = Jmol?

2009-08-25 Thread Rzepa, Henry
With HTML5 and its multimedia components being finalised (the W3C specification is being edited by one person from Apple, and another from Google!), http://homepage.mac.com/swain/Macinchem/Reviews/Chemdoodle/chemdoodle_web_components.htm makes for an interesting comparison with Jmol. It

Re: [Jmol-users] ChemDoodle = Jmol?

2009-08-25 Thread Rzepa, Henry
At 16:30 +0100 25/8/09, N David Brown wrote: Henry, Speaking from a programmer's perspective, I find your comparison premature. It's the equivalent of saying that the HTML 5 canvas tag will replace Flash - true, it's possible this could happen one day. However, given that (i) HTML 5 is not yet

[Jmol-users] Advice on display of cyclic DNA: more ...

2009-01-28 Thread Rzepa, Henry
Quick follow up to http://www.ch.ic.ac.uk/local/organic/pericyclic/2HK4.html Kinemage (which is more veritable than Jmol), also fails to close the cycle on cyclic DNA, so I presume that Jmol is merely following the convention in this regard in how it also does this. I guess this is a bit

Re: [Jmol-users] Jmol mediawiki extension

2008-11-29 Thread Rzepa, Henry
Brian, We are currently running courses with no issue using the old implementation http://www.ch.ic.ac.uk/wiki/ (which has proved VERY robust. We often have classes of 50 students all hammering pages with 10 or more embedded Jmols, with no issues). but have also been struggling to

Re: [Jmol-users] Jmol mediawiki extension

2008-11-29 Thread Rzepa, Henry
On 29 Nov 2008, at 01:41, Brian Salter-Duke wrote: The question of having Jmol used on wikipedia has again been raised on the commons email list. On contributor to the discussion says that the jmol mediawiki extension now only works with an older version of mediawiki. Certainly my examples

Re: [Jmol-users] Jmol mediawiki extension

2008-11-29 Thread Rzepa, Henry
I have gotten the Jmol Mediawiki to display a variety of more interesting modes: https://www.ch.ic.ac.uk/wiki2/index.php/Mod:jmol (although I dont think it can do everything a conventionally invoked applet can). -

Re: [Jmol-users] Jmol mediawiki extension

2008-11-29 Thread Rzepa, Henry
On 29 Nov 2008, at 18:43, Angel Herráez wrote: Henry, I'm glad that you found the cure for your problem, and to have been a catalyst in that cure :) On 29 Nov 2008 at 14:53, Rzepa, Henry wrote: In the distribution http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-extensions/wiki

Re: [Jmol-users] Using the sync command for 3D/stereographic visualization (on a GeoWall)

2008-11-21 Thread Rzepa, Henry
Jmol users, I've had a request to make my Jmol pages work with a GeoWall-type setup. (If you're not familiar with GeoWall (http://www.geowall.orgwww.geowall.org), it's a low-cost stereo projection system. You setup a computer with a dual-head video card, two projectors with polarizing

Re: [Jmol-users] 11.6 release -- DONE!

2008-10-09 Thread Rzepa, Henry
On Wed, Oct 8, 2008 at 8:01 PM, Robert Hanson [EMAIL PROTECTED] wrote: Excellent! Say, did you know we came close to 10,000 downloads last month? Oh, and ranked 62 overall on SourceForge (today)... this means Jmol has en enormous impact! Here's of the last few months:

Re: [Jmol-users] citing Jmol (was: 11.6 release -- DONE!

2008-10-09 Thread Rzepa, Henry
On 9 Oct 2008 at 9:01, Rzepa, Henry wrote: It would be interesting to identify all the STM journals that deploy it in some manner or other. Sorry, what is STM? STM = Scientific, Technical and Medical -- Henry Rzepa. +44 (020) 7594 5774 (Voice); http://www.ch.ic.ac.uk/rzepa/rzepa.xrdf

Re: [Jmol-users] beyond a limitation of JMOL: TiBS article on publication-integrated 3D models in PDFs

2008-09-05 Thread Rzepa, Henry
Amazing! Thanks for pointing this out, Wayne. I have missed the last two email ToC for TIBS, which I regularly review. Movement of the model is very smooth. The quality of the renderings is not so good -- must be related to file size, since PyMol can have a very good quality. I too am

Re: [Jmol-users] New browser Chrome from Google

2008-09-04 Thread Rzepa, Henry
Just to save anyone else the pain of getting Jmol working with Google's new browser Chrome http://www.google.com/chrome/http://www.google.com/chrome/ You need a pre-release version of Java http://java.sun.com/javase/downloads/ea.jsp then it works (so far). Apparently the reason is performance

Re: [Jmol-users] New browser Chrome from Google

2008-09-04 Thread Rzepa, Henry
Just to save anyone else the pain of getting Jmol working with Google's new browser Chrome http://www.google.com/chrome/http://www.google.com/chrome/ You need a pre-release version of Java http://java.sun.com/javase/downloads/ea.jsp then it works (so far). Also highlighted is the capability

[Jmol-users] Spotlight on Jmol

2008-03-12 Thread Rzepa, Henry
See http://pubs.acs.org/4librarians/livewire/2008/9.3/index.html -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); [EMAIL PROTECTED] (iChat) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation

Re: [Jmol-users] Java on iPhone family: Significance for Jmol?

2008-03-09 Thread Rzepa, Henry
For the Jmol application, I have some doubts because the application will probably have to be distributed through App Store. If I understand correctly, there's an annual fee for distributing an application (99$ ?) Nico Only if one charges for the product? But understand that the Java will

[Jmol-users] Java on iPhone family: Significance for Jmol?

2008-03-08 Thread Rzepa, Henry
Along with http://www.regdeveloper.co.uk/2008/03/08/jvm_for_the_iphone/ and http://developer.apple.com/iphone/ can we expect Jmol to appear there in the near future? -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); [EMAIL PROTECTED] (iChat)

Re: [Jmol-users] Chemistry For All (Nature, Murray-Rust)

2008-02-21 Thread Rzepa, Henry
Higly recommended, in the current issue of Nature (http://www.nature.com/nature/journal/v451/n7179/full/451648a.html ): Peter Murray-Rust's ambitious and inspiring vision of the future of free exchange of, and wide access to scientific information, particularly in chemistry. The emerging world of

Re: [Jmol-users] Interactive 3D Organic Reaction Mechanisms

2008-01-04 Thread Rzepa, Henry
Dear Jmol users, I would like to draw to your attention a new site I have developed using Jmol (with much help from many of you, especially Bob) to depict interactive 3D animations for some of the most important organic reactions covered during an undergraduate degree with supporting information

[Jmol-users] The future of Java?

2007-06-12 Thread Rzepa, Henry
Steve Jobs at the WWDC: Jobs also confirmed that iPhone won't support Java. [It's] not worth building in, he said. Nobody uses Java anymore. It's this big heavyweight ball and chain. Whilst this might not seem to matter just for the iPhone (although it would have been nice to display Jmol in

Re: [Jmol-users] The future of Java?

2007-06-12 Thread Rzepa, Henry
Mmmm... So nobody is using Java? Where does he live? And if he doesn't say what's the alternative, is this assertion trustable? I understood that iPhone uses plain MacOSX, so how is Java prevented from working? Do they block installation? What happens with other plugins, like Flash? Can't the

Re: [Jmol-users] The future of Java?

2007-06-12 Thread Rzepa, Henry
Some comments on these bits: I have been asked questions such as what is the lifetime of a WEO, and what happens in eg 10 years time when the Java virtual engine is no longer installed/supported on the majority of Web browsers. Jmol is opensource! There is absolutely no reason not to

Re: [Jmol-users] Jmol 11.1.14

2007-02-15 Thread Rzepa, Henry
Fast and furious! 11.1.14 is ready. Forget 11.1.13 -- this is better. :) 3.6 Mbyte for the consolidated jar file? It used to be around 1.1? -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); [EMAIL PROTECTED] (iChat) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry,

Re: [Jmol-users] Jmol 11.1.14

2007-02-15 Thread Rzepa, Henry
Fast and furious! 11.1.14 is ready. Forget 11.1.13 -- this is better. :) Its early in the morning, and I clearly have not woken up yet. Scrub that last post; I was looking at the application, not the applet! -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); [EMAIL

Re: [Jmol-users] another Jmol version

2007-02-12 Thread Rzepa, Henry
OK, Jmol 11.1.11 will have something for Henry Rzepa: set echo top left echo %{_memory} You will see two numbers show up in that echo, and they will update automatically as you rotate the model and such. 10.3/15.4 means Jmol is using 10.3 Mb of memory and has been allocated 15.4 Mb. These

Re: [Jmol-users] BioMolecular Explorer 3D, version 2 - in Jmol

2007-01-04 Thread Rzepa, Henry
Dear Colleagues, Eric Martz and I are happy to announce version 2 of the BioMolecular Explorer 3D web site, (designed to supplement a secondary school biology curriculum) which uses Jmol in place of Chime to present macromolecular structures and tutorials. This simplifies the process of using

[Jmol-users] jmol

2006-10-26 Thread Rzepa, Henry
Nico, In the mediawiki invocation of Jmol, how might one address different instances of a jmol. Might it be eg jmol name=first or jmol id=first? Would either of these be supported by your code? Much of http://wiki.jmol.org/index.php/MediaWiki#Simple_usage seems to assume only one jmol per

Re: [Jmol-users] Chime Sculpt mode?

2006-10-06 Thread Rzepa, Henry
Whilst perhaps not so polished as Sculpt , I would note projects such as Ghemical, http://www.uku.fi/~thassine/projects/ghemical/ an opensource project for energy minimisation, with a graphical front end (http://www.uiowa.edu/~ghemical/ I gather a project to implement a universal-force-field

Re: [Jmol-users] Jmol applets in MediaWiki and Wikipedia

2006-04-27 Thread Rzepa, Henry
Could someone please explain how to achieve the following code result uploadedFileContentsEthanol.xyz/uploadedFileContents When I try to upload a file, mediawiki tells me its not a recognised image file, and refuses it. I guess a setting has to be tweaked somewhere (perhaps even setting a

Re: [Jmol-users] New Jmol Wiki

2006-04-04 Thread Rzepa, Henry
Am Dienstag, den 04.04.2006, 10:44 +0200 schrieb [EMAIL PROTECTED]: Hi everyone, The Jmol Wiki is now using a totally new version under MediaWiki instead of MoinMoin Wiki. The URL is still the same: http://wiki.jmol.org/ It seems, that everyone is allowed to change content. I highly

[Jmol-users] Flow control/timing and Jmol?

2005-09-28 Thread Rzepa, Henry
Could I ask the list to test the following http://pubs.acs.org/subscribe/journals/chreay/suppinfo/cr030092l/Figure4/index.html When I tested it locally, molecules ALWAYS appear on the page. When the ACS mounted it, molecules always appeared when they test it. But when I and colleagues here

Re: [Jmol-users] Flow control/timing and Jmol?

2005-09-28 Thread Rzepa, Henry
Same here. BTW, great to see Jmol in action like this! Thanx. Egon As I have mentioned in the past, testimonials to the use of Jmol in eg Journal pages could perhaps be collected by some volunteer on the sf pages.I have about 10 examples sprinkled around various journals, including

Re: [Jmol-users] Flow control/timing and Jmol?

2005-09-28 Thread Rzepa, Henry
De: Rzepa, Henry [EMAIL PROTECTED] As I have mentioned in the past, testimonials to the use of Jmol in eg Journal pages could perhaps be collected by some volunteer on the sf pages.I have about 10 examples sprinkled around various journals, including my favorite, http://www.ch.ic.ac.uk

Re: [Jmol-users] gzip compression of .cube .pmesh

2005-07-17 Thread Rzepa, Henry
If noone has such a program, then *maybe* I'll do it and include it in the Jmol distribution. Tell me some reasonable defaults for: 1. upper limit 2. lower limit 3. digits of precision Gosh, we did this about 12 years ago, and we worked this all out then, but I would have to look at it

Re: [Jmol-users] Orbital Rendering

2005-07-04 Thread Rzepa, Henry
Hi all, I can't remember this link being posted to this list, but it's worth checking out! http://chemie.skku.ac.kr/~wkpark/demos/demo/sample.html Thanx Park! Am I correct in inferring this originates from http://archive.ncsa.uiuc.edu/Edu/ChemViz/documentation/waltzdocs.html ? and a

Re: [Jmol-users] Jmol at the Visualization GRC?

2005-06-10 Thread Rzepa, Henry
I am sorry I am rather late for this thread. Wanted to add that Marion Cass will be presenting Jmol via our pseudorotation page; http://www.ch.ic.ac.uk/rzepa/bpr/ This article is one of three that have been submitted to J Chem Ed extolling the virtues of Jmol. An earlier one on symmetry

Re: [Jmol-users] surfaces in jmol

2005-04-05 Thread Rzepa, Henry
I am not aware of pmesh outputs; those that I have seen are either 3dmf (which is a more abstract language, containing objects other than planes, and hence capable of interfacing with eg openGL for performance) or the Gaussian cube format (which needs isosurface rendering to turn into a

[Jmol-users] Official way of citing Jmol?

2005-03-23 Thread Rzepa, Henry
When the fancy takes us, we occasionally sit down and write a short article for publication (mostly of pedagogic nature) describing some use of Jmol. Other than simply citing the sf Web site, its always nice to put in a proper full citation. Information on how this might be done happens to

Re: [Jmol-users] OS X 10.4 compatibility

2005-02-19 Thread Rzepa, Henry
Also http://www.ch.ic.ac.uk/chemime/tests/object/ (this being a test of the object tag, which fails miserably in 10.3!) Netscape 7.1/Windows XP: I do see a crude model, which I can manipulate with the mouse. So I guess that object is working. But the Load links don't do anything as far as I

Re: [Jmol-users] JMol and Tiger OS X 10.4

2005-02-18 Thread Rzepa, Henry
Henry et al, I'd be delighted to test any Jmol based pages with OS X 10.4. Please let me have the URLs and details of the OS/browser combination that produces ideal results. To date I can say that things are generally better with Safari than under Panther. All the Jmol home site is fine.

Re: [Jmol-users] archive='JmolApplet.jar,gnujaxp.jar'

2005-02-17 Thread Rzepa, Henry
I'm 100% with Miguel when he says that if you can get your clients to upgrade to Sun 1.4 or 1.5, please do so! That's the best solution! Well, Apple have quite confused this aspect. They offer both 1.3 AND 1.4 (but not yet 1.5, which will come with Tiger). For reasons totally beyond

Re: [Jmol-users] archive='JmolApplet.jar,gnujaxp.jar'

2005-02-17 Thread Rzepa, Henry
applet height=12 archive=JmolApplet.jar,gnujaxp.jar width=12 code=JmolAppletControl mayscript=true param name=target value=Int1 / param name=type value=chimeToggle / param name=script etc Don't know why

Re: [Jmol-users] CML + MSFT JVM

2005-02-16 Thread Rzepa, Henry
I have tracked it down to the following. If eg a .mol or .xyz file is loaded, it has no problems on either Mac or Windows. But if a CML file is loaded (as here), on Windows one appears to get the following errors. Is this a SAX parser error? I thought this was built into Jmol (V

[Jmol-users] archive='JmolApplet.jar,gnujaxp.jar'

2005-02-16 Thread Rzepa, Henry
There is no XML parser built into the Java 1.1 libraries. Therefore, in order to support CML on IE Windows you must provide an additional .jar file: gnujaxp.jar You are writing your own [applet] tags. One of the attributes is archive='JmolApplet.jar' change this to be

[Jmol-users] gnujaxp.jar issues

2005-02-16 Thread Rzepa, Henry
But except for the missing gnujaxp.jar (which I actually locally added in the Jmol.jar), we also had problems with testing for the availability of JAXP... which is not, but the exception thrown were not catched... InstantiationException and ClassNotFoundException... This is deja vu all over

Re: [Jmol-users] gnujaxp.jar issues

2005-02-16 Thread Rzepa, Henry
But I have just had one OS X user report that his system behaves like Windows, ie gnujaxp.jar appears to be missing from his system somehow? That is because he is running Java 1.3 ... a product which is approximately 4 years old. And a version on the Mac which is *not* supported by Jmol.

[Jmol-users] Re: MacOSX browser support issues

2004-12-01 Thread Rzepa, Henry
I like your popup window as an alternative to my suggestion. It is relatively clear and does not prevent simple pages or people from at least seeing the molecules. The javaplugin does not work for me with Firefox 1.0 Fine with Mozilla 1.8a but I agree, its a struggle to keep it working with

Re: [Jmol-users] greek characters

2004-10-31 Thread Rzepa, Henry
Hi all, I know this is slightly OT, but I don't know where else I could get the info. Anybody knows why Safari in OSX 10.3.5 refuses to display greek characters (alpha, beta etc.) and substitutes with normal characters? Please reply to the address appended below if you think this is too OT for

Re: [Jmol-users] greek characters

2004-10-31 Thread Rzepa, Henry
More on greek characters (its relevant to Jmol I suppose since all applications and documents are supposed to become unicode compliant eventually). The small document http://www.ch.ic.ac.uk/rzepa/greek.html shows two ways of encoding Greek. The second is document specific, but the first

Re: [Jmol-users] Mac OS X Java problem - status update

2004-09-09 Thread Rzepa, Henry
According to Miguel: On Wed 8 Sep 2004 Apple posted the final release candidate for Java 1.4.2 Update 2. Miguel, Thank you for the early notice on Java 1.4.2 Update 2 for Mac OS X I installed it and Safari 1.2.3 (v125.9) runs the examples on the Jmol.js JavaScript Library page without problems.

[Jmol-users] load pmesh?

2004-09-09 Thread Rzepa, Henry
Excuse if an FAQ (I did not immediately find the answer on the sf site!) but are there any plans to support pmesh surfaces? There is an excellent site at http://www.otterbein.edu/home/fac/dnhjhns/symmetry/details.html (there may be many others) which does good things with pmesh surfaces! PS The

Re: [Jmol-users] Jmol and Java 1.4.2 on Mac OS X

2004-08-25 Thread Rzepa, Henry
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 On Wednesday 25 August 2004 12:33, [EMAIL PROTECTED] wrote: I am not sure I agree with your analysis. That's good! Apparently you are doing things slightly different... and this should make it much easier to find the problem... Could you both

Re: [Jmol-users] Mac Java question

2004-05-24 Thread Rzepa, Henry
I get the Apple Developer's newsletter. this morning's (or last night's) edition says something about a java 1.4.2 update. There is a link which opens a page at Apple dated 5-17-04. Is anyone aware of this update, what it does, and how it affects jmol? Software update does not report

Re: [Jmol-users] Jmol/ActiveX: killer app?? (was: Comments on JMol+Powerpoint

2004-04-14 Thread Rzepa, Henry
On Wed, 14 Apr 2004 10:07:41 +0200 (CEST), Miguel wrote Rest assured that I am thinking *very* hard about how to make the applet into an ActiveX control. It could then be embedded into PowerPoint (or other MSFT applications), and that might just be the *killer app* for Jmol. H...not

Re: [Jmol-users] Browser enhancement technologies tutorial

2004-03-18 Thread Rzepa, Henry
Thanks Miguel for a truly excellent and clear summary! Plug-in --- To understand a plug-in it is helpful to think back to the helper application. A helper application is not associated with a specific web page. Rather, it is associated with a specific file type, a specific mime-type. The web

[Jmol-users] Jmol as an application on OS X

2004-03-18 Thread Rzepa, Henry
Found a mechanism to wrap the Jmol.jar into an application on OS X (thus converting it to jmol.app ) which CAN be treated as a proper application. Use /Developer/Applications/Java Tools/Jar Bundler and indicate the main class as org.openscience.jmol.app.Jmol Whilst I doubt its worth

Re: [Jmol-users] Jmol as an application on OS X

2004-03-18 Thread Rzepa, Henry
Rzepa, Henry sent [10.43a gmt 2004 March 18 Thursday] : Found a mechanism to wrap the Jmol.jar into an application on OS X (thus converting it to jmol.app ) which CAN be treated as a proper application. Use /Developer/Applications/Java Tools/Jar Bundler and indicate the main class

Re: [Jmol-users] Web browser plug-in?

2004-03-17 Thread Rzepa, Henry
Q: Would it be valuable to have a simpler mechanism to associate the Jmol application with web browsers as a helper application? This of course was the MIME handling mechanism, and the reason for chemical/x-pdb etc MIME types. As far as I can tell, OS X does not have a clear mechanism for

Re: [Jmol-users] Web browser plug-in?

2004-03-17 Thread Rzepa, Henry
Q: Would it be valuable to have a simpler mechanism to associate the Jmol application with web browsers as a helper application? If the Jmol application can be launched automatically whenever a file with MOL or PDB extension was loaded by Safari, that would be a big help. Henry's message

Re: [Jmol-users] Jmol 9 released

2004-02-23 Thread Rzepa, Henry
Egon, Remind me how one configures the RSS plugin for this version of JMol (its changed, has it not? ) -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter

[Jmol-users] Re: chime2jmol.pl

2004-02-09 Thread Rzepa, Henry
Perl uses a system call CPAN (Comprehensive Perl Archive Network) to distribute modules. become root user and run CPAN to install this module. su - perl -MCPAN -e 'install HTML::Parser' It might ask you a question or two ... just hit [enter] to take the defaults. It will then grind and

[Jmol-users] Detecting and gunzipping files

2003-07-28 Thread Rzepa, Henry
In the olden days of modem bandwidths, it became common to gzip molecule coordinate files (compression ratios of 10:1 made this very worth while, particularly for medium sized molecules). Software such as Chime would auto-detect this (even though the file name extension retained the

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