Re: [Jmol-users] Jmol 14.13.1

2017-04-10 Thread Dean Johnston
ng the lcaocartoons >>> >>> Dean, the main reason I'm jumping in here is the display unitcell >>> command. Is that a legal Jmol Script command? After loading a CIF file, I >>> thought that you had to do something like this to get the unit cell: >>> >

Re: [Jmol-users] Jmol 14.13.1

2017-04-10 Thread Dean Johnston
%; Dean Johnston On April 10, 2017 at 9:00:03 AM, Pshemak Maslak (p...@chem.psu.edu) wrote: Can the "slab" command be used to produce presentations equivalent to the image linked below? https://en.wikipedia.org/wiki/Atomic_packing_factor#/media/File:CCC_crystal_cell_(opaque).svg

Re: [Jmol-users] Jmol-users Digest, Vol 123, Issue 4

2016-08-24 Thread Dean Johnston
This is listed on the Wavefunction, Inc. web site ( https://www.wavefun.com/products/databases.html): Spartan Molecular Database (SMD), a collection of over 150,000 calculated structures and associated properties of molecules, each obtained from as many as ten different theoretical models

Re: [Jmol-users] Hirshfeld Surfaces

2016-08-10 Thread Dean Johnston
I know that CrystalExplorer (http://hirshfeldsurface.net/) will generate Hirshfeld surfaces, but I haven’t used it much. It relies on some kind of wavefunction calculation (Tonto or Gaussian in the case of CrystalExplorer), so I imagine that Jmol will similarly require more than just coordinates.

Re: [Jmol-users] python scripting of Jmol

2015-08-10 Thread Dean Johnston
I’ve just started playing around with the CSD Python API (https://downloads.ccdc.cam.ac.uk/documentation/API/) - seems like Jmol would be ideal for displaying results from Python-generated searches. Dean On July 31, 2015 at 2:21:55 PM, Robert Hanson (hans...@stolaf.edu) wrote: Q: Has anyone

Re: [Jmol-users] Jmol app vanishes in Yosemite

2015-02-02 Thread Dean Johnston
Eric, I am not able to completely reproduce this (Mac OS 10.10.2, Macbook Pro 15”, Mid-2014), but I did notice that on the one display I could not position the Jmol app higher than a certain point. If I tried to move the app to the top of the screen, it would just move it about half-way down.

[Jmol-users] unitcell and/or draw unitcell command changed between 13.3.3 and 14.1.6?

2014-02-05 Thread Dean Johnston
multiple representations of unit cells for an expanded lattice. In the later version (including 14.1.8), the unit cells end up spaced out” instead of contiguous. Picture and links below. Dean Johnston Jmol 13.3.3 (http://crystals.otterbein.edu/packing/packing-jmol13-3-3.html)  — click on “simple

Re: [Jmol-users] unitcell and/or draw unitcell command changed between 13.3.3 and 14.1.6?

2014-02-05 Thread Dean Johnston
= jQuery.noConflict(); On Wed, Feb 5, 2014 at 5:33 PM, Dean Johnston djohnsto...@gmail.com wrote: Jmol users list, I’ve noticed a change in behavior of the unitcell/draw unitcell command somewhere between 13.3.3 and 14.1.6. I’m using it to draw representations of multiple unit cells

Re: [Jmol-users] Should translucency be additive?

2011-08-08 Thread Dean Johnston
Thanks Bob - the simple solution is just to make the main object opaque (it was already nearly opaque). Then all the translucencies look just fine. I don't really know why I made it translucent to begin with. Dean On Mon, Aug 8, 2011 at 1:35 PM, Robert Hanson hans...@stolaf.edu wrote: Jmol

[Jmol-users] Should translucency be additive?

2011-08-07 Thread Dean Johnston
Jmol'ers, I just noticed an interesting effect in Jmol. I have a model with several planes having different levels of translucency. But Jmol only seems to use the translucency of the frontmost plane when looking at something that falls behind two translucent planes. I suspect this is in the

Re: [Jmol-users] Molecular view (CIF)

2011-07-18 Thread Dean Johnston
of delete not... That gives you more flexibility. Bob On Sun, Jul 17, 2011 at 9:29 PM, Dean Johnston djohnsto...@gmail.comwrote: Simon, Here's what I've used. It obviously only works for molecular systems and can be somewhat slow for very large molecules/unit cells. Bob can probably

Re: [Jmol-users] Molecular view (CIF)

2011-07-17 Thread Dean Johnston
Simon, Here's what I've used. It obviously only works for molecular systems and can be somewhat slow for very large molecules/unit cells. Bob can probably figure out a more efficient way to do this, but it works for me. In these examples I've deleted any molecules that I don't want to see -

Re: [Jmol-users] copy text from Jmol console

2011-05-06 Thread Dean Johnston
Just like Bob said, on my Mac (10.6.7, Java 1.6.0_24) it depends on whether it is the signed applet (or stand alone app). With the signed applet or application, I find it handy to select text from the Jmol console (or the script editor) and then click and drag it onto the desktop to create a text

[Jmol-users] Finding all (symmetry-generated) symmetry elements in a unit cell

2011-04-21 Thread Dean Johnston
Does anybody know if there is a relatively simple way to find all the crystallographic symmetry elements within a unit cell using Jmol? For example, if there is an inversion center at the origin, there may be several other inversion centers generated by the space group symmetry. I can see some

Re: [Jmol-users] Finding all (symmetry-generated) symmetry elements in a unit cell

2011-04-21 Thread Dean Johnston
probably just as well to take a random point and keep operating on it, returning its unit cell coordinates each time. Anyway, since you can get the matrices for the space group operations, you should be able to get all combinations of them. Bob On Thu, Apr 21, 2011 at 10:45 AM, Dean Johnston

Re: [Jmol-users] Jmol and crystallography: the paper

2010-09-03 Thread Dean Johnston
Excellent - lots of beautiful examples showing why Jmol is a killer app! Dean On Thu, Sep 2, 2010 at 3:21 PM, Robert Hanson hans...@stolaf.edu wrote: *This just in! * *J. Appl. Cryst.* (2010). *43* [ doi:10.1107/S0021889810030256http://dx.doi.org/10.1107/S0021889810030256] *Jmol* - a

Re: [Jmol-users] Appending with inline data not working in 12.0

2010-07-25 Thread Dean Johnston
the load command with all its options (append, filter, {n n n}, unitcell, spacegroup, etc.) with the data command included in it: load data append inline .. end data append inline packed {3 3 3} Bob On Sat, Jul 24, 2010 at 9:54 PM, Dean Johnston djohnsto...@gmail.comwrote: Bob

[Jmol-users] Appending with inline data not working in 12.0

2010-07-24 Thread Dean Johnston
Bob, Just testing 12.0.RC28_dev and for my site the DATA command with the append option (set appendNew true) appears not to work properly (models are just replaced). Sorry I don't have time to do any more detailed testing. I didn't have to set the appendNew flag in the past - I think in 11.8

[Jmol-users] Crash with rotate symop # (cif file)

2010-06-28 Thread Dean Johnston
I'm having fun playing with all the wonderful crystallography stuff built into Jmol, but I'm getting the following when I try the ROTATE with the SYMOP option. It seems to happen with both the applet and the application - with a variety of CIF files. Exception in thread QueueThread0

Re: [Jmol-users] draw ARC won't stay FIXED during animation

2010-03-09 Thread Dean Johnston
Yep - problem fixed. Thanks, Bob! On Tue, Mar 9, 2010 at 9:18 AM, Robert Hanson hans...@stolaf.edu wrote: I think I have this fixed. On Mon, Mar 8, 2010 at 8:35 AM, Dean Johnston djohnsto...@gmail.comwrote: I'll post one as soon as I can - my current observations are on a complex page

Re: [Jmol-users] draw ARC won't stay FIXED during animation

2010-03-08 Thread Dean Johnston
, Dean Johnston djohnsto...@gmail.comwrote: Possible bug with newer version of Jmol (11.9.32). I'm finding that the arcs that I'm drawing (with the FIXED option) are popping on and off during animations. This glitch does not appear in Jmol 11.6. Unless the syntax has changed, I think

[Jmol-users] draw ARC won't stay FIXED during animation

2010-03-06 Thread Dean Johnston
Possible bug with newer version of Jmol (11.9.32). I'm finding that the arcs that I'm drawing (with the FIXED option) are popping on and off during animations. This glitch does not appear in Jmol 11.6. Unless the syntax has changed, I think this might be a bug. All other objects created using

Re: [Jmol-users] Multiple clipping planes (using slab/depth HKL)

2010-03-03 Thread Dean Johnston
about 20 lines of code. Fun! So the solution is to create a sphere isosurface for each. Kind of neat that the unitcell doesn't have to be orthogonal. Also works with boundbox. Bob On Fri, Feb 26, 2010 at 10:48 PM, Dean Johnston djohnsto...@gmail.comwrote: Jmol Users, Here's something

Re: [Jmol-users] Multiple clipping planes (using slab/depth HKL)

2010-03-03 Thread Dean Johnston
, we can talk about another way of doing it, but for now this should work. Bob On Wed, Mar 3, 2010 at 7:44 AM, Dean Johnston djohnsto...@gmail.comwrote: Oh - this is great! Exactly what I wanted - in a straightforward implementation - nicely done. Thanks Bob! Dean On Tue, Mar 2

[Jmol-users] Multiple clipping planes (using slab/depth HKL)

2010-02-26 Thread Dean Johnston
Jmol Users, Here's something I've always wanted to do with Jmol -- use clipping planes to show students the *fractions* of atoms in a unit cell (similar to attached image of NaCl generated using POV-Ray). I know I can use slab HKL and depth HKL, but those don't slice through the atoms like the

Re: [Jmol-users] Are others experiencing very broken javascript and Jmol pages in IE8?

2009-10-04 Thread Dean Johnston
I haven't noticed any severe problems with the testing I've done (WinXP SP3, IE7 and IE8). But I spend most of my time with Firefox. Dean On Sun, Oct 4, 2009 at 7:54 PM, Robert Hanson hans...@stolaf.edu wrote: In case it's any consolation -- Windows 7 running MSIE 8.0.7100.0 works just fine.

Re: [Jmol-users] Jmol applet blinking during scripted animations with Safari

2009-04-09 Thread Dean Johnston
background color. If you can avoid the white/black switch, perhaps it won't be so noticeable. On Wed, Apr 1, 2009 at 9:44 PM, Dean Johnston djohnsto...@gmail.comwrote: Jmol users, Has anybody else noticed the Jmol applet blinking (flashing black) when being scripted via Javascript in Safari

Re: [Jmol-users] problem to take into account changes to a file.xyz in the Jmol applet

2009-04-02 Thread Dean Johnston
I don't know if this will work for your situation, but I use a Firefox extension called Web Developer ( https://addons.mozilla.org/en-US/firefox/addon/60). It adds a toolbar that allows you to temporarily disable the cache (along with many other useful features). Dean 2009/4/2 Angel Herraez

[Jmol-users] Jmol applet blinking during scripted animations with Safari

2009-04-01 Thread Dean Johnston
Jmol users, Has anybody else noticed the Jmol applet blinking (flashing black) when being scripted via Javascript in Safari? I've had some users complain with my website (http://symmetry.otterbein.edu/gallery), but I'm not sure if it's something specific I'm doing. It can be rather distracting

Re: [Jmol-users] AJAX applications and Jmol and Jmol.js

2008-12-17 Thread Dean Johnston
I've used the Prototype.js library pretty extensively in my pages ( http://symmetry.otterbein.edu). I store my structures as JSON files which I can read and evaluate using the AJAX functionality in the prototype library. I also do some select DOM replacement to generate tables of checkboxes and

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

2008-11-25 Thread Dean Johnston
different applet windows. Sort of a dummy applet idea. You would do all control on one, but the matching stereo image would be sent to the other. Bob On Mon, Nov 24, 2008 at 8:01 AM, Dean Johnston [EMAIL PROTECTED] wrote: Thanks for the clarification. I think I'll go for the slight

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

2008-11-23 Thread Dean Johnston
), and then turn mouse syncing back on. They will now track properly as stereo images. On Sat, Nov 22, 2008 at 9:22 PM, Dean Johnston [EMAIL PROTECTED] wrote: Bob, I guess I was asking if the sync command could be modified (feature request!) such that two different perspectives could

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

2008-11-22 Thread Dean Johnston
how he does it. I'm pretty sure you just make the applet or application 2048 pixels wide and then direct the left side of the screen to one projector and the right side to the other. Bob On Fri, Nov 21, 2008 at 9:15 PM, Dean Johnston [EMAIL PROTECTED] wrote: Jmol users, I've had

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

2008-11-21 Thread Dean Johnston
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 (www.geowall.org), it's a low-cost stereo projection system. You setup a computer with a dual-head video card, two projectors with polarizing filters, and align the two

Re: [Jmol-users] Translucent cylinder disappears when viewed edge on

2008-10-05 Thread Dean Johnston
Just confirming that the fix works for me. Thanks Bob. Dean On Sun, Oct 5, 2008 at 8:20 PM, Robert Hanson [EMAIL PROTECTED] wrote: this is fixed for Jmol 11.6 On Sat, Oct 4, 2008 at 12:20 AM, Dean Johnston [EMAIL PROTECTED]wrote: Here's an odd one. My (very short) translucent cylinders

Re: [Jmol-users] State script not scaling arcs properly

2008-10-04 Thread Dean Johnston
, Robert Hanson [EMAIL PROTECTED]wrote: ok, that should be a simple fix. simple Jmol script? On Fri, Sep 26, 2008 at 1:17 AM, Dean Johnston [EMAIL PROTECTED]wrote: Bob, I'm finding that my state script doesn't properly reproduce the scale of the arcs. They should be the same size

Re: [Jmol-users] jmol movie

2008-10-04 Thread Dean Johnston
I can view it (using QuickTime player) on a Mac (OS X 10.5.5). It shows up as a 500x500 movie - looks pretty good to me and plays very fast (it's done within less than 5 seconds). Dean On Wed, Oct 1, 2008 at 10:25 AM, Robert Hanson [EMAIL PROTECTED] wrote: Question: Can you watch this movie

Re: [Jmol-users] Jmol-users Digest, Vol 29, Issue 5

2008-10-04 Thread Dean Johnston
http://www.chemtube3d.com Tel: +44 (0)151-794-3506 (3500 secretary) On 3 Oct 2008, at 00:06, [EMAIL PROTECTED] wrote: Message: 3 Date: Thu, 2 Oct 2008 16:03:58 -0700 From: Dean Johnston [EMAIL PROTECTED] Subject: Re: [Jmol-users] Creation / representation of aromatic bonds

[Jmol-users] Translucent cylinder disappears when viewed edge on

2008-10-03 Thread Dean Johnston
Here's an odd one. My (very short) translucent cylinders disappear when viewed within a few degrees of edge-on. To be more exact, the center disappears while the edge remains visible. These are the same type of cylinders that are generated by the draw pointgroup command. I've only started to

[Jmol-users] Creation / representation of aromatic bonds

2008-10-02 Thread Dean Johnston
I don't know if this is a bug or a feature, but my script to display a model of benzene ends up with all double bonds. Here is a snippet of the script (the structure is defined via an inline data file): set autobond false; data model benzene | ... (atom coordinates here) ... |end model benzene;

Re: [Jmol-users] Creation / representation of aromatic bonds

2008-10-02 Thread Dean Johnston
Have you tried 'calculate aromatic'? Regards, Rolf This message was sent using IMP, the Internet Messaging Program. Yes, but in my case that produces alternating double bonds and dashed single bonds - not a representation

[Jmol-users] State script not scaling arcs properly

2008-09-26 Thread Dean Johnston
Bob, I'm finding that my state script doesn't properly reproduce the scale of the arcs. They should be the same size as the disks (see the attached the Jmol state file). If this has been fixed since RC_12 then ignore this. Dean # Jmol state version 11.6.RC12_dev 2008-08-14 16:55; #

[Jmol-users] Behavior of the Jmol applet console output (on OS X)

2008-09-26 Thread Dean Johnston
Dear All, Has anybody noticed a change in the console behavior for the applet between RC12 and RC17? I don't know if this is specific to OS X. I used to be able to select text from the applet console and drag it either to the desktop (to create a text clipping) or to the console of the Jmol

[Jmol-users] Best way to output results of script using Jmol application

2008-09-23 Thread Dean Johnston
Dear All, I've been playing around with some of the molecular math features of Jmol - it's truly amazing how easy it is to analyze a large number of structures. My only difficulty has been getting the results out to a simple text file. At first I tried copying the text from the console -

Re: [Jmol-users] javascript command fails in Safari?

2008-09-05 Thread Dean Johnston
I can't reproduce this - the javascript command works just fine from the Jmol console for me on both Firefox and Safari for OS X. Dean On Fri, Sep 5, 2008 at 6:18 PM, Eric Martz [EMAIL PROTECTED]wrote: It appears to me that the javascript command of Jmol does not work in Safari on Mac OS X.

Re: [Jmol-users] Testing 11.6.RC8

2008-08-28 Thread Dean Johnston
, that fix is checked in -- problem for any case where there is no principal axis. On Fri, Aug 22, 2008 at 9:52 PM, Dean Johnston [EMAIL PROTECTED]wrote: OK, it's working much better, but a few obscure errors with my test set (this is with both 11.6.RC10-applet, and 11.6.RC11_dev-application

Re: [Jmol-users] Echo with sub and sup tags

2008-08-27 Thread Dean Johnston
: I'm not observing this, Dean. You will have to be more specific -- send a state script. Bob On Sun, Aug 24, 2008 at 9:10 PM, Dean Johnston [EMAIL PROTECTED]wrote: Dear All - I've just noticed an odd behavior with the echo command. I've been using sub (subscript) tags in some of my echos

Re: [Jmol-users] problem in firefox

2008-08-27 Thread Dean Johnston
Jeff, No apologies needed. Giving an id to a div does not create a Javascript object automatically (at least in Firefox). You will have to use something like: var myText = document.getElementById('jmolText'); and then say myText.value = dump(_dataInfo); It's interesting that it *does*

Re: [Jmol-users] Echo with sub and sup tags

2008-08-27 Thread Dean Johnston
2008 at 10:57, Dean Johnston wrote: OK, here is the state for ammonia, with a label of Point Group = Csub3v/sub at the bottom left. Without the tags the spacing is normal. Just typing it in the console of 11.6.RC10 app it looks Ok to me Maybe some combination with other scripts are doing

Re: [Jmol-users] Jmol-users Digest, getting data from Jmol

2008-08-26 Thread Dean Johnston
If you're using Firefox at all, I've found the Firebug plug-in ( http://getfirebug.com/) to be immensely useful. Whether your debugging Javascript or just want to look at the DOM, it works great for me. Just set a breakpoint right after your jmolGetPropertyAsArray() call and then find your array

[Jmol-users] Echo with sub and sup tags

2008-08-24 Thread Dean Johnston
Dear All - I've just noticed an odd behavior with the echo command. I've been using sub (subscript) tags in some of my echos (I think this is an undocumented feature). At some recent point (after 11.4), any echo'ed text with a sub tag shows up with extra spaces between the letters. All other

[Jmol-users] Drawing individual symmetry elements

2008-08-24 Thread Dean Johnston
Dear All (but mostly Bob) - (Sorry about the duplicate message regarding echo - I thought my mail program never sent it out...) I'm having problems drawing individual symmetry elements (Jmol 11.6.RC11) using the format draw pointgroup c2 1 It correctly draws the first element, but then won't

Re: [Jmol-users] Jmol-users Digest, Vol 27, Issue 32

2008-08-23 Thread Dean Johnston
Jeff, You can certainly avoid using innerHTML. I only ended up using it because it was the only way to get my particular pages working with Internet Explorer (arghh). And now that I depend on it I don't bother to avoid it... In your almost working version, you were sending a Javascript

Re: [Jmol-users] Testing 11.6.RC8

2008-08-22 Thread Dean Johnston
On Fri, Aug 22, 2008 at 10:01 AM, Robert Hanson [EMAIL PROTECTED] wrote: found it -- Nico, let's get RC10 out so Dean can test it. Bob On Thu, Aug 21, 2008 at 11:21 PM, Dean Johnston [EMAIL PROTECTED]wrote: This (the write pointgroup draw command) still isn't working for me (RC9

[Jmol-users] Echo with sub and sup tags

2008-08-22 Thread Dean Johnston
I've just noticed an odd behavior with the echo command. I've been using sub (subscript) tags in some of my echos (I think this is an undocumented feature). At some recent point (after 11.4), any echo'ed text with a sub tag shows up with extra spaces between the letters. All other echos are

Re: [Jmol-users] Testing 11.6.RC8

2008-08-21 Thread Dean Johnston
) etc. On Tue, Aug 19, 2008 at 11:17 PM, Dean Johnston [EMAIL PROTECTED]wrote: Bob, write pointgroup draw gives the following error (for 11.6.RC8): Exception in thread QueueThread0 java.lang.NullPointerException at org.jmol.symmetry.PointGroup.getInfo(Unknown Source

Re: [Jmol-users] script in string

2008-08-21 Thread Dean Johnston
I'm not sure of the context, but this should be OK if it's part of an * external* javascript file. If it's within an HTML page, the browser is interpreting the /script in your string as the closing tag of your script, thereby rendering everything that follows as HTML. Dean On Thu, Aug 21, 2008

Re: [Jmol-users] Testing 11.6.RC8

2008-08-19 Thread Dean Johnston
Bob, write pointgroup draw gives the following error (for 11.6.RC8): Exception in thread QueueThread0 java.lang.NullPointerException at org.jmol.symmetry.PointGroup.getInfo(Unknown Source) at org.jmol.symmetry.Symmetry.getPointGroupInfo(Unknown Source) at

Re: [Jmol-users] Jmol 11.6.RC3, point groups, dot density

2008-08-08 Thread Dean Johnston
On Fri, Aug 8, 2008 at 8:46 AM, Bob Hanson [EMAIL PROTECTED] wrote: version=11.6.RC3 # bug fix: minor error in pointgroup # new feature: draw pointGroup [type] [index] SCALE [x] # where [type] is one of Cs, Ci, Cn, or Sn, where n is an integer or the character n [Dean Johnston, please

Re: [Jmol-users] Jmol 11.6.RC3, point groups, dot density

2008-08-08 Thread Dean Johnston
Very nice - I like that you can select what to draw and the different color for the horizontal plane. How is the default scale determined? (It seems with some molecules [C2h], the planes extend well beyond the outermost atoms, while with others [Ih], they end in the middle of some

Re: [Jmol-users] BCCE 2008 and Jmol

2008-07-25 Thread Dean Johnston
I will also be presenting at BCCE 2008. While my materials (http://symmetry.otterbein.edu) don't use all the latest and greatest that Jmol has to offer, I will certainly sing its praises. I'm looking forward to some exciting sessions. Dean Johnston On 7/23/08 12:40 AM, Bob Hanson [EMAIL

[Jmol-users] Jmol works on Safari 3.1 for Windows (!)

2008-03-19 Thread Dean Johnston
Jmol users, If anyone is interested, I just tried Jmol on Safari 3.1 for Windows and it appears to work quite well. (Previous versions of Safari for Windows just hung up with many Java applets.) That said, I did find that some pages (in Bob's documentation examples and Angel's pages) that I

[Jmol-users] Bug in Jmol menu - Select Element ?

2008-02-13 Thread Dean Johnston
from the menu gives the following in the history: vector 3 vector scale 1.0 vibration scale 0.5 vibration 0.5 load /home/djohnston/Structures and Plots/ferrocene.mol console iron#?? $ Should I submit a bug report on this? Dean Johnston

Re: [Jmol-users] new.htm updated

2007-11-28 Thread Dean Johnston
I can't reproduce this problem on my system (also OS X 10.4.11). Jmol loads just fine and all the example scripts appear to work. Dean Johnston On 11/28/07 3:44 AM, David Leader [EMAIL PROTECTED] wrote: Bob wrote: I've updated http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm

Re: [Jmol-users] polyhedra files

2007-10-18 Thread Dean Johnston
Cool! Very nicely done. Dean On 10/18/07 1:04 PM, Bob Hanson [EMAIL PROTECTED] wrote: Robley Light wrote: Several weeks ago I asked the list if anyone knew of files that could display geometric shapes (for a lower grade math and science project). I'd like to thank Bob Hanson and Dean

Re: [Jmol-users] Are there any files available displaying simple geometric solids

2007-09-06 Thread Dean Johnston
. For the dodecahedron my site uses a combination of three-sided and four-sided figures to stitch together a five-sided face. I hope this is of some help. Dean Johnston On 9/6/07 5:55 PM, Robley Light [EMAIL PROTECTED] wrote: Its been a while since I've monitored this list, so forgive me if this is a question

Re: [Jmol-users] Orient molecule along bond or arbitrary axis

2007-06-15 Thread Dean Johnston
OK, not simple, but very impressive what you can do with the molecular math. (I especially like the use of improper angles.) Now, if I want to orient along an line (as opposed to along a bond), can I do it the same way? Is there a way to extract the endpoints of a line? When I tried something

Re: [Jmol-users] Orient molecule along bond or arbitrary axis

2007-06-14 Thread Dean Johnston
. Is what you are asking to do to align some axis in the molecular system with some axis in the reference plane? In other words, something like orient the axis going through atoms 1 and 2 along the X (horizontal) axis? Bob Hanson Dean Johnston wrote: Jmol users, Does anybody know

Re: [Jmol-users] Polyhedra with 12 or 20 vertices

2007-06-13 Thread Dean Johnston
lines, since we are painting more triangles than actually needed. Just the way it goes, I guess Bob Dean Johnston wrote: Has anybody tried to create polyhedra with 12 or 20 vertices? The documentation seems to indicate that I should be able to go up to 20. I¹m creating

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

2007-06-13 Thread Dean Johnston
I could get some relatively simple Java applets to run on Safari/WinXP, but not Jmol. All the reports I've read say Safari on Windows is pretty unstable, but I don't know what Java support it's supposed to have. Dean On 6/13/07 2:51 PM, Alan Hewat [EMAIL PROTECTED] wrote: Jobs also confirmed

Re: [Jmol-users] Polyhedra with 12 or 20 vertices

2007-06-13 Thread Dean Johnston
commands, so I forgot that triangles were that easy. Thanks! Dean Dean Johnston wrote: OK, I see that the POLYHEDRA command is really overkill for what I'm trying to do. I could essentially create my own polyhedral representations if the DRAW command was extended to allow the drawing

[Jmol-users] Jmol applet - crash with inline model (OS X)

2007-06-08 Thread Dean Johnston
manually from a connection list) after the molecule loads. For some reason I never get the same error under Windows (Firefox or IE). If it¹s any help, my earlier version of the page that uses the 11.1.22 applet does not produce the same error. Dean Johnston

Re: [Jmol-users] Jmol applet - crash with inline model (OS X)

2007-06-08 Thread Dean Johnston
if you want me to put up an example page (it's currently just running locally). Dean On 6/8/07 10:39 PM, Bob Hanson [EMAIL PROTECTED] wrote: Dean, please send me the script. I'd like to fix this. Dean Johnston wrote: I¹m getting an odd (and hard to reproduce) crash with the Jmol applet

[Jmol-users] Polyhedra with 12 or 20 vertices

2007-06-08 Thread Dean Johnston
Has anybody tried to create polyhedra with 12 or 20 vertices? The documentation seems to indicate that I should be able to go up to 20. I¹m creating representations of shapes (Platonic solids, actually ‹ maybe Jmol isn¹t just for molecules anymore... :-). I would like to display an icosahedron

Re: [Jmol-users] Jmol applet - crash with inline model (OS X)

2007-06-08 Thread Dean Johnston
the script. I'd like to fix this. Dean Johnston wrote: I¹m getting an odd (and hard to reproduce) crash with the Jmol applet (Firefox or Safari on OS X, version 11.1.48_dev). I try and load an inline model and sporadically get the error listed below. It seems to always

Re: [Jmol-users] problem with old tutorial (and inline data)

2007-05-18 Thread Dean Johnston
I had similar problems - On OS X the Java cache is located in ~/Library/Caches/Java/cache ­ you can clear it using the Java Preferences utility. I always wondered why clearing the browser cache didn¹t always work when I updated Jmol versions. Unrelated note ­ has anybody tried inline files using

Re: [Jmol-users] Set backgroundModel in Jmol 11.1.22

2007-03-20 Thread Dean Johnston
On 3/18/07, Dean Johnston [EMAIL PROTECTED] wrote: I can't seem to get set backgroundModel n to work when loading files using the inline append command with Jmol 11.1.22. It works just fine with the normal (non appended) inline files. Has anyone else tried this with appended file sets

Re: [Jmol-users] Jmol 11.1.22

2007-03-18 Thread Dean Johnston
Similarly, data append .end append ; will insert an inline model into either a new frame or the current frame, as per the setting of appendNew. Is it possible to insert more than one new model using data append ? When I try I get the following: Exception in thread

Re: [Jmol-users] Jmol 11.1.21 -- numerical translucency

2007-03-13 Thread Dean Johnston
are opaque -- but you can't see the oxygen through the translucent plane. Dean Johnston - Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your

Re: [Jmol-users] Jmol 11.1.21 -- numerical translucency

2007-03-13 Thread Dean Johnston
I got it now - works great. The ability to fade in is an especially nice effect. Dean On 3/13/07 10:05 PM, Dean Johnston [EMAIL PROTECTED] wrote: Bob, Are you saying we should ask for too much more often? ;-) I LOVE the translucency - I've been playing around with it using

Re: [Jmol-users] Is there a simple way to create an ellipse?

2007-03-07 Thread Dean Johnston
On 3/7/07 4:17 AM, Angel Herraez [EMAIL PROTECTED] wrote: A flat ellipsoid? I wouldn't call that easy, but... That doesn't really work because isn't a flat ellipsoid (large eccentricity) just a circle? And you can't really get it totally flat. You can also create a polygon with as many

[Jmol-users] Is there a simple way to create an ellipse?

2007-03-06 Thread Dean Johnston
Jmol users, I¹d like to create a representation of a plane that is an ellipse rather than a rectangle. Is there a simple way to create a representation of an ellipse in Jmol? Thanks for any pointers / suggestions. Dean Johnston

Re: [Jmol-users] Cell blocks available with mol2 formatted files?

2007-02-15 Thread Dean Johnston
it looks like Mol2Reader.readCrystalInfo must be reading 14 1 instead of just 14. Should be a simple fix. Bob? Dean Johnston - Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll

Re: [Jmol-users] Jmol 11.1.13 feature PROPOSAL

2007-02-14 Thread Dean Johnston
I have just checked in a version of Jmol that allows: inverting selected atoms about points and planes I like it! I thought about asking to add something like this a while back, but never got around to submitting an official feature request. I can think of some really nice ways of using this

Re: [Jmol-users] advice needed

2007-02-14 Thread Dean Johnston
WOW! This is what I needed two months ago. You just made about half of my Javascript code unnecessary, but it's so much easier and cleaner to do it within Jmol. OK, I've got rotation, translation, and inversion of selected atoms going now. It can all be scripted using rotateSelected

Re: [Jmol-users] Jmol and Moodle

2007-02-13 Thread Dean Johnston
rotating or zooming molecules. Dean Johnston Department of Chemistry and Biochemistry Otterbein College On 2/13/07 2:19 PM, Jeff Hansen [EMAIL PROTECTED] wrote: My university is currently trying Moodle as an alternative to Blackboard for a Course Management System.  One of the things I like

[Jmol-users] Selecting range of models

2007-02-13 Thread Dean Johnston
load for me. Dean Johnston - Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier. Download IBM WebSphere Application Server

[Jmol-users] Jmol Wiki not working

2007-02-13 Thread Dean Johnston
When I try to get to the Jmol Wiki, I get a page that is definitely NOT the Wiki. Is this just a problem with SourceForge? www.jmol.org gives an error as well. Dean Johnston - Using Tomcat but need to do more? Need

Re: [Jmol-users] Jmol Wiki not working

2007-02-13 Thread Dean Johnston
This is what I see: The first link (wiki.jmol.org) loads a page that is basically an advertisement for GoDaddy. Not the Jmol wiki. The second link (www.jmol.org/wiki) gives a 404 error. Dean On 2/13/07 4:53 PM, Nicolas Vervelle [EMAIL PROTECTED] wrote: Dean Johnston wrote: When I try

Re: [Jmol-users] Selecting range of models

2007-02-13 Thread Dean Johnston
Yes, of course it makes sense now. I'm typically using NOT in the context of database searching where it is much less mathematically precise. Thanks for the clarification. Dean On 2/13/07 6:18 PM, Bob Hanson [EMAIL PROTECTED] wrote: Dean Johnston wrote: I have a file with about 15

[Jmol-users] DATA command broken in 11.1.12?

2007-02-13 Thread Dean Johnston
The DATA command has stopped working for me somewhere between 11.1.8 and 11.1.12. Issuing the simple command: data model example|2|testing|C 1 1 1|O 2 2 2|end model example;show data hangs the applet (says script pending) and starts chewing up processor cycles. Observed on OS X and WinXP.

[Jmol-users] Coloring objects translucent broken in 11.1.9?

2007-02-09 Thread Dean Johnston
I just switched to 11.1.9 and Jmol no longer colors my objects (planes, isosufaces, polyhedra) translucent. I can still color atoms and bonds translucent. Dean Johnston - Using Tomcat but need to do more? Need to support

[Jmol-users] Appending and/or selectively deleting models

2007-02-07 Thread Dean Johnston
this might be useful? Dean Johnston - Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier. Download IBM WebSphere Application

Re: [Jmol-users] Drawing small spheres using the isosurface command

2007-01-26 Thread Dean Johnston
Angel, Thanks - the resolution parameter was the first thing I tried. It was late and I guess I was entering the parameters in the wrong order. Dean On 1/26/07 5:55 AM, Angel Herraez [EMAIL PROTECTED] wrote: Hi Dean There is a resolution value for isosurfaces, so I guess your problem

[Jmol-users] Drawing small spheres using the isosurface command

2007-01-25 Thread Dean Johnston
to draw small isosurface spheres, but I want to draw psuedo-atoms that are about the same size as the atoms in a ball-and-stick representation. Dean Johnston - Take Surveys. Earn Cash. Influence the Future of IT Join

[Jmol-users] Translucent objects are not visible through other translucent objects

2007-01-18 Thread Dean Johnston
the illusion of translucency. I have a simple (very artificial) example page at http://www.otterbein.edu/home/fac/dnhjhns/jmoltest/trans_test.html. In that example, the oxygen and the plane are translucent and the hydrogens are opaque -- but you can't see the oxygen through the translucent plane. Dean

[Jmol-users] Selecting one atom in one model/frame - should this work?

2007-01-10 Thread Dean Johnston
method should work as well... Am I missing something? Dean Johnston - Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT business