Re: [Jmol-users] Some Desirable Features!

2013-09-11 Thread Michael Evans
there. This is consistent with other paradigms for programming in Javascript, such as those associated with jQuery UI and Bootstrap JS. The first paragraph of this page provides some rationale too. Cheers, Mike Michael Evans Freshman Chemistry Lab Coordinator Georgia Institute of Technology (502

Re: [Jmol-users] Jmol/JSmol 3.2.4 and 3.3.4 released

2013-08-23 Thread Michael Evans
(Not Found)--maybe a .map where a .js should be? Cheers, Mike Michael Evans Freshman Chemistry Lab Coordinator Georgia Institute of Technology (502) 439-2540 | mevan...@gmail.com On Aug 23, 2013, at 1:44 PM, Robert Hanson hans...@stolaf.edu wrote: Jmol users --- Ah, for those 258 people

Re: [Jmol-users] FirstGlance in Jmol: Enhanced (Again)

2013-06-17 Thread Michael Evans
Eric, You should give JSmol a try! Depending somewhat on the complexity of your code, I think you'll find the switch pretty easy... :-) For me a few mass find/replaces did the trick. Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign On Sun, Jun 16

Re: [Jmol-users] JSmol on iPAd

2013-05-01 Thread Michael Evans
Just tested on an iPad 2, and the demos (test2.htm and simple2.htm) are working for me. Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign On Wed, May 1, 2013 at 5:12 PM, Robert Hanson hans...@stolaf.edu wrote: thanks for the tip -- what page

Re: [Jmol-users] Freeze a Model?

2013-04-27 Thread Michael Evans
Thanks for the tips, Otis Angel! I'll try these out when I get a chance. Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign On Sat, Apr 27, 2013 at 7:34 AM, Otis Rothenberger osrot...@chemagic.comwrote: Michael, I'm not sure if you mean mouse

[Jmol-users] Freeze a Model?

2013-04-26 Thread Michael Evans
the atomic positions of the two models match, but I don't know if one of two models in the Jmol window can be frozen in place. Any idea if this is possible, and if so, how it could be done? I'd rather not resort to two separate applets. Thanks! Cheers, Mike --- Michael Evans Department

Re: [Jmol-users] Searching for help

2013-04-25 Thread Michael Evans
orbitals and electrostatic potential. The output can be downloaded. I could be wrong, but I *think* the .MO files that come out of a Mopac WebMO job contain information about electrostatic potential. Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign

Re: [Jmol-users] Searching for help

2013-04-25 Thread Michael Evans
Whomp, I stand corrected! Thanks, Angel and Otis. Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign On Thu, Apr 25, 2013 at 2:45 PM, Otis Rothenberger osrot...@chemagic.comwrote: Hi Birgit, Jmol can calculate MMFF94 partial charges

Re: [Jmol-users] scriptWait and scriptWaitAsArray

2013-03-25 Thread Michael Evans
Wow, where have I been? This works great. Works really well for grabbing orientation info too. Thanks, Bob. Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign On Mon, Mar 25, 2013 at 5:23 PM, Robert Hanson hans...@stolaf.edu wrote: Well, you know

Re: [Jmol-users] super light-weight JSmol?

2013-03-24 Thread Michael Evans
, touchDragFactor: 0.15, multipleBondSpacing: 4, Be sure to try it on your smart phone. Comments? Suggestions? Bob -- --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign -- Everyone hates

Re: [Jmol-users] Jmol | lcaocartoon

2013-03-15 Thread Michael Evans
each other at some orientations. Is there a simple way to deal with these issues? Thanks, PM On Sun, Mar 10, 2013 at 2:19 PM, Michael Evans evan...@illinois.eduwrote: Jmol'ers, -- --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign

Re: [Jmol-users] Jmol | lcaocartoon -sp3d Issue

2013-03-11 Thread Michael Evans
Bob On Sun, Mar 10, 2013 at 2:19 PM, Michael Evans evan...@illinois.eduwrote: Jmol'ers, I am having trouble using lcaocartoon in a very specific case. If you look on this page, the antibonding orbitals render fine: http://butane.chem.illinois.edu/jsmoore/Experimental/DFE.html However

[Jmol-users] Jmol | lcaocartoon -sp3d Issue

2013-03-10 Thread Michael Evans
://chemapps.stolaf.edu/jmol/docs/examples-12/new.htm An sp3d lobe renders fine, but nothing happens when I try lcaocartoon create -sp3d. Am I missing something? Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign

Re: [Jmol-users] Nested quotes problem

2013-03-09 Thread Michael Evans
javascript:_e({}, 'cvml', 'ngree...@liverpool.ac.uk'); WWW Pages:http://www.chemtube3d.com Tel:+44 (0)151-794-3506 (3500 secretary) Dept Fax: +44 (0)151-794-3588 -- --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign

Re: [Jmol-users] hmm. css question

2013-03-05 Thread Michael Evans
, February 5, 1900 -- --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign -- Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite

Re: [Jmol-users] JSMol not working with JSmol.min.js

2013-02-27 Thread Michael Evans
Works for me, big guy. The page loads using Java but the HTML5 Version link works fine for me. Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign On Wed, Feb 27, 2013 at 3:16 PM, Daniel Barich bari...@kenyon.edu wrote: My page is still

Re: [Jmol-users] WebMO

2013-02-22 Thread Michael Evans
at Centre for the Governor's Scholars Program back in 2003. Hard to believe it's been ten years since then...I'm sure the campus is as beautiful as ever! Cheers, Mike --- Michael Evans Department of Chemistry University of Illinois, Urbana-Champaign On Fri, Feb 22, 2013 at 12:08 PM, Jennifer L. Muzyka

Re: [Jmol-users] JSmol lite

2013-01-30 Thread Michael Evans
Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 -- --- Michael Evans Organic Chemistry Graduate Student, Moore Group University

Re: [Jmol-users] JSmol lite

2013-01-30 Thread Michael Evans
Agreed, Otis. I realized after reading your message that a version of JSmol that worked that way would be highly desirable, provided the process of loading files as needed is acceptable from a user experience perspective. Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore

Re: [Jmol-users] can you visualize more than one molecular orbital at a time?

2013-01-28 Thread Michael Evans
Definitely possible! Use isosurface surf1 mo 3 and isosurface surf2 mo 5, for example. Cheers, Mike On Monday, January 28, 2013, Jonathan Gough wrote: I know you can show a single MO (from a gamess log file), but is there a way to visualize 2 of them simultaneously? For example if I wanted

Re: [Jmol-users] JSmol | Quirky Behavior of Zoom Command

2013-01-26 Thread Michael Evans
: script: set antialiasDisplay;background white;load caffeine.mol;zoomTo 2 50;background blue On Sat, Jan 26, 2013 at 4:33 AM, Michael Evans evan...@illinois.eduwrote: I am...I should be a little more specific. I had a zoom command in the script parameter of the Info object, and that caused

[Jmol-users] JSmol | Quirky Behavior of Zoom Command

2013-01-25 Thread Michael Evans
using find/replace and regular expressions, this bug/feature/potentiality had me beating my head against the wall. Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign

Re: [Jmol-users] JSmol | Quirky Behavior of Zoom Command

2013-01-25 Thread Michael Evans
Hanson wrote: I'm certainly not seeing that. Are you using the latest at http://chemapps.stolaf.edu/jmol/jsmol.zip ? On Fri, Jan 25, 2013 at 10:06 PM, Michael Evans evan...@illinois.edujavascript:_e({}, 'cvml', 'evan...@illinois.edu'); wrote: Hey all! In JSmol, running the zoom command

Re: [Jmol-users] JSmol update

2013-01-24 Thread Michael Evans
Bob, Not sure if I'm the only one having this problem, but I can't get jsmol.zip to decompress properly. On OS X 10.8.2, Archive Utility hangs while trying to unzip it. I both hope and don't hope it's just me! :-P Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group

Re: [Jmol-users] JSmol popup menu and console

2013-01-02 Thread Michael Evans
ev.preventDefault(); var xym = Jmol._jsGetXY(ev, canvas); canvas.applet._applet.viewer.handleOldJvm10Event(org.jmol.api.Event.MOUSE_UP,xym[0],xym[1],org.jmol.api.Event.MOUSE_RIGHT,System.currentTimeMillis()); }); Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group

Re: [Jmol-users] JSmol popup menu and console

2013-01-02 Thread Michael Evans
Phil, Don't forget that you can left-click or tap on the JSmol logo to pull up the context menu. No right-click required! :-) Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Wed, Jan 2, 2013 at 2:50 PM, Philip Bays pb

Re: [Jmol-users] Jmol | Context Menu for JSmol

2012-12-23 Thread Michael Evans
=HTML5 On Sun, Dec 23, 2012 at 11:08 PM, Robert Hanson hans...@stolaf.eduwrote: OK! We have a popup menu in JavaScript. Thank you, Michael Evans!!! jQuery UI to the rescue. All relevant code is in jsmol/j2s/java/coremenu.js Check it out. http://chemapps.stolaf.edu/jmol/jsmol/test2.htm

Re: [Jmol-users] Jmol | Context Menu for JSmol

2012-12-22 Thread Michael Evans
Yep, the link below is still the latest. If you can see the radio button group of colors, you know you're looking at the newest version. I've also just implemented ImageIcon. http://www.metallacycle.com/play/netmol/tests/popupMenu/popupMenu.html Cheers, Mike --- Michael Evans Organic Chemistry

Re: [Jmol-users] Jmol | Context Menu for JSmol

2012-12-21 Thread Michael Evans
wrote: What's the latest? I'd like to test this some tomorrow. Sent from my stupid iPhone On Dec 19, 2012, at 5:56 PM, Michael Evans evan...@illinois.edu wrote: Guess I was feeling lazy when I wrote menuRemoveItem...it's an easy fix. The array.splice(indexToStart, numberOfElements

Re: [Jmol-users] Jmol | Context Menu for JSmol

2012-12-19 Thread Michael Evans
Thanks, Bob. I got the sense objects would be the way to go. Working on this this morning. Stay tuned! --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Wed, Dec 19, 2012 at 8:56 AM, Robert Hanson hans...@stolaf.edu wrote: OK

Re: [Jmol-users] Jmol | Context Menu for JSmol

2012-12-19 Thread Michael Evans
would be appreciated! :-) Is this what you had in mind, Bob? Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Wed, Dec 19, 2012 at 9:10 AM, Michael Evans evan...@illinois.edu wrote: Thanks, Bob. I got the sense objects

Re: [Jmol-users] Jmol | Context Menu for JSmol

2012-12-19 Thread Michael Evans
Great question, Phil...perhaps a left-click on the JSmol frank a la Jmol would work? --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Wed, Dec 19, 2012 at 3:34 PM, Philip Bays pb...@saintmarys.edu wrote: How does this work

[Jmol-users] Jmol | Context Menu for JSmol

2012-12-18 Thread Michael Evans
way to implement addItem. Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign -- LogMeIn Rescue: Anywhere, Anytime Remote support for IT. Free Trial

Re: [Jmol-users] R: Re: R: Re: R: JSmol -- Are we done?

2012-12-17 Thread Michael Evans
get a chance. Thanks! Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Sun, Dec 16, 2012 at 2:30 PM, Robert Hanson hans...@stolaf.edu wrote: continuing this thread -- The only things missing from JSmol now, as far as I

Re: [Jmol-users] R: Re: R: Re: R: JSmol -- Are we done?

2012-12-17 Thread Michael Evans
Exactly. Creating the nested unordered list is straightforward; perhaps only the Menu component of jQuery UI will be necessary. Stay tuned. --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Mon, Dec 17, 2012 at 12:37 PM, Robert

Re: [Jmol-users] JSmol core libraries

2012-12-15 Thread Michael Evans
Wow, I do notice a significant drop in loading speed (OS X 10.8, Chrome). Thanks, Bob! Cheers, Mike --- Michael Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Sat, Dec 15, 2012 at 3:45 PM, Robert Hanson hans...@stolaf.edu wrote: I have

Re: [Jmol-users] Signed Applet Using 13.0 JS

2012-09-20 Thread Michael Evans
Gotcha. Thanks, Bob. Cheers, Mike On Sep 20, 2012, at 10:53 PM, Robert Hanson hans...@stolaf.edu wrote: Oh, THAT message Hmm. I certainly use Jar files not in the current directory. Oh, I know. There are two Info parts now: Info.jarPath Info.jarFile just make sure you put the

Re: [Jmol-users] Snow Leopard/Lion vs. Jmol?

2012-08-23 Thread Michael Evans
Eric et al, I would head for Mountain Lion. Java on Lion was a little spotty for me, especially while using Safari. I don't know if Lion supports Safari 6 now, but many of the slow downs and hangs I experienced in Lion with Safari 5 went away upon upgrading to Safari 6. Google Chrome was old

Re: [Jmol-users] Jmol back button

2012-07-16 Thread Michael Evans
Martin, You could use HTML5's local storage capabilities or server-side storage in a session variable to do this, but I don't think there's a simple way to do it using Jmol. You would use Jmol to set up a callback, however—probably a scriptCallback. In the callback function, you could save the

Re: [Jmol-users] How to align 2 PDBs with the Jmol

2012-07-14 Thread Michael Evans
Kumardeep, I'm unsure of Jmol's ability to read PSE files, but if you are not married to the superposition software, Superpose from the University of Alberta is a nice alternative. The output of Superpose is a multi model PDB file, which you can play with using Jmol's model command. Cheers, Mike

Re: [Jmol-users] renaming Object Jmol files

2012-06-14 Thread Michael Evans
A good idea from the standpoint of loading speed. Cheers, Mike --- Mike Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Thu, Jun 14, 2012 at 4:30 PM, Paul Pillot paul.pil...@ac-orleans-tours.fr wrote: Good idea ! Shall we bundle them in a

Re: [Jmol-users] Announcement of Jmol based Webinterface to simulate nanowire biosensors

2012-05-11 Thread Michael Evans
Martin—link...? I'd love to try this out. Cheers, Mike --- Mike Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Fri, May 11, 2012 at 10:26 AM, Martin Hediger ma@bluewin.ch wrote: Dear Jmol Users In our research group we have developed a

Re: [Jmol-users] Jmol Load in Safari and Firefox

2012-05-07 Thread Michael Evans
To piggyback on Martin's observation, Chrome does the same to me on OS X 10.7.3. It's been this way for a long time...since the beginning of 12.2, IIRC. But it's been brought up a couple of times before, and I think we concluded it's a browser issue? Cheers, Mike --- Mike Evans Organic Chemistry

[Jmol-users] Loading a Remote File After an Update

2012-03-11 Thread Michael Evans
Hey all, I'm having a little issue involving updates to script files on the web that a loaded Jmol applet does not appear to see. The change is only noticed by Jmol after I restart my web browser, as if the file is cached somehow. There may be no way around this issue if it's the way the browser

Re: [Jmol-users] How to hide the Jmol logo

2012-02-10 Thread Michael Evans
Offend?! I think the rest of the jmol-users listserv just finds the whole exchange hilarious. :-) Cheers, Mike --- Mike Evans Organic Chemistry Graduate Student, Moore Group University of Illinois, Urbana-Champaign On Fri, Feb 10, 2012 at 2:56 PM, Jeff Hansen jhan...@depauw.edu wrote: I just

[Jmol-users] SSL Encryption and Jmol Applets

2012-02-08 Thread Michael Evans
Hello all—I'm serving a ton of Jmol applets through a wiki that employs SSLv3 encryption. These applets suddenly broke, giving a bad_record_mac error, when we updated to SSLv3 on campus due to a bug (see below). As a result of this bug, CITES has modified all of our web server configurations to

Re: [Jmol-users] getProperty Image

2012-01-13 Thread Michael Evans
and upcoming releases of 12.3.12 and 12.2.12. Sent from my stupid iphone On Jan 12, 2012, at 11:40 PM, Michael Evans evan...@illinois.edu wrote: Lords lasses of Jmol—just wanted to note an issue in 12.2.11 that I think Dr. Gutow mentioned for 12.2.10 back in December...getProperty image

[Jmol-users] getProperty Image

2012-01-12 Thread Michael Evans
Lords lasses of Jmol—just wanted to note an issue in 12.2.11 that I think Dr. Gutow mentioned for 12.2.10 back in December...getProperty image and the Javascript equivalent jmolGetPropertyAsString('image', 'all') cause the applet to hang. Is there a workaround? Any idea where the solution might

Re: [Jmol-users] Jmol Android released

2011-12-05 Thread Michael Evans
Downloaded! Any chance browser applets could be set up to point to the Android application if browser support for Java fails...? I'd be willing to modify code I have for existing applets, but I'm not familiar with the innards of Jmol (and especially the Android app). Cheers, Mike --- Mike Evans

Re: [Jmol-users] Jmol Android released

2011-12-05 Thread Michael Evans
Right on...this page seems to suggest that you need to associate URLs or data types with your application in its AndroidManifest.xml file: http://stackoverflow.com/questions/2958701/launch-custom-android-application-from-android-browser Cheers, Mike --- Mike Evans Organic Chemistry Graduate

Re: [Jmol-users] 404 (Not Found) error in jmol

2011-08-23 Thread Michael Evans
I run into the problem only on OS X 10.7...that may have something to do with it. Cheers, Mike On Aug 23, 2011 1:24 PM, Jeff Hansen jhan...@depauw.edu wrote: Whatever the problem is I don't think you can blame it on Safari. All three links are fine for me in Safari 5.1, OS 10.6.8. No error

Re: [Jmol-users] Checking for Disulfide Bonds

2011-08-05 Thread Michael Evans
Sara—use the Jmol script command... select sulfur and connected(sulfur); You may be able to use the scriptCallback or messgeCallback of this command to see what was selected; what I know works is to then use show selected; to spit out selected atoms. If you get anything back, you know

Re: [Jmol-users] OT (a bit): C-I-P R/S assignments in 3D

2011-07-31 Thread Michael Evans
labels from the mol file is possible. Rich On Jul 31, 2011, at 2:11 PM, Michael Evans wrote: Rich--although its 3d capabilities are not as good as jmol, marvin sketch can do r/s assignment in 2d or 3d mol files. If that's all you're after, check out marvin sketch. http://chemaxon.com/marvin

Re: [Jmol-users] Mac update

2011-07-22 Thread Michael Evans
Phil Jmol'ers—I can add to this discussion. I've upgraded to Lion, and have experienced minimal trouble with the Java distribution recommended by Apple for downloading. It's primary downside is bad integration with the browser; if you're a Mac Chrome user you know the annoying Java Applet

Re: [Jmol-users] Mac update

2011-07-22 Thread Michael Evans
Just discovered that dragging and dropping .jmols on the applet doesn't work anymore in Lion. It opens a Finder window instead. Cheers, Mike Mike Evans Organic Chemistry Graduate Student Moore Group University of Illinois, Urbana-Champaign On Jul 22, 2011, at 12:14 PM, Michael Evans wrote

[Jmol-users] Writing Would-be .jmol Contents to a Remote Location

2011-07-12 Thread Michael Evans
Lords and lasses of Jmol—I am interested in writing .jmol files (really, folders containing their would-be contents) to a remote location on my server using PHP. My question is about the precise specification of .jmol. What is always included in the ZIP file, and how are the file's contents

Re: [Jmol-users] MO HOMO/LUMO?

2011-06-22 Thread Michael Evans
: They won't work if your data does not have occupancy information. Please check the latest version, and/or send me the offending file so I can check it out. On Mon, Jun 20, 2011 at 5:53 PM, Michael Evans evan...@illinois.eduwrote: Lords lasses of Jmol—in several versions of Jmol 12.0

Re: [Jmol-users] MO HOMO/LUMO?

2011-06-22 Thread Michael Evans
://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip for the fix. I've also fixed that in Jmol 12.0, but that release will be later this week or next week, probably. ps: WebMO uses Jmol, by the way 2011/6/22 Michael Evans evan...@illinois.edu I just refreshed my Jmol version, to no avail

Re: [Jmol-users] about charge scale legend

2011-06-21 Thread Michael Evans
J—the boundbox command might help: http://chemapps.stolaf.edu/jmol/docs/#boundbox Boundbox bounds the entire model by default, but it shouldn't be too difficult to show only a particular side or to condense it. Try playing around with boundbox CORNERS and boundbox TICKS to achieve the desired

[Jmol-users] MO HOMO/LUMO?

2011-06-20 Thread Michael Evans
Lords lasses of Jmol—in several versions of Jmol 12.0 (at least since .34), the mo homo and mo lumo commands don't seem to be working. The documentation seems to suggest they still should. Bug here? Could someone test this to see if I'm the only one having this issue? Cheers, Mike -- Mike

Re: [Jmol-users] simple mechanistic reaction arrows

2011-05-28 Thread Michael Evans
Bob—this is *amazing*. I wrote an algorithm a while back that finds the midpoint between the start and end of an arrow and essentially lifts it to curve it by introducing a third intermediate point...I'm guessing that's how this works too? These look better than mine, and I will switch when they

Re: [Jmol-users] Jmol Molecular Orbital Viewer

2011-05-19 Thread Michael Evans
Bob—slick tool! Maybe JmolColorPickers or some other means to change the color of MO lobes? Cheers, Mike On Thu, May 19, 2011 at 8:45 AM, Robert Hanson hans...@stolaf.edu wrote: I've done a bit of work on my demo page for viewing molecular orbitals and turned it into the Jmol Molecular

Re: [Jmol-users] Mac Firefox Java

2011-03-08 Thread Michael Evans
It's a little slow, but it seems to be working on my end (Snow Leopard OS X, 10.6) on FF beta 12, based on this page: http://jmol.sourceforge.net/demo/trace/ Cheers, Mike On Tue, Mar 8, 2011 at 7:35 PM, Philip Bays pb...@saintmarys.edu wrote: Apple released a Java security update today. It

Re: [Jmol-users] Mac Firefox Java

2011-03-08 Thread Michael Evans
/%7Epbays/Stereochemistry.html Particularly the cyclohexane options near the bottom of the list. On Mar 8, 2011, at 9:49 PM, Michael Evans wrote: It's a little slow, but it seems to be working on my end (Snow Leopard OS X, 10.6) on FF beta 12, based on this page: http://jmol.sourceforge.net

Re: [Jmol-users] Newbie question: showing a docked receptor-ligand model (applet)

2011-03-02 Thread Michael Evans
The difficulty is defining the atoms involved in the receptor...showing bonds and ribbons in the entire protein is quite easy: select protein; cartoon on; The ligand will display initially as bonds and atoms. I suspect this isn't what you want :-) Here's script for displaying bonds and atoms

Re: [Jmol-users] molecular orbital linear combinations

2011-02-10 Thread Michael Evans
Bob—a bit of a learning curve, but the jQuery UI Slider is phenomenal: http://jqueryui.com/demos/slider/ Cheers, Mike On Thu, Feb 10, 2011 at 10:00 AM, Robert Hanson hans...@stolaf.edu wrote: I'll check out the slider business -- does anyone know of a simple slider widget that works

Re: [Jmol-users] picking atoms

2010-12-17 Thread Michael Evans
Jan—here is a simple example: http://chemapps.stolaf.edu/jmol/docs/examples-11/spacegroup.htm Notice how an alert is thrown when you click on an atom. If you look at the function in the source code, picking, that is called when an atom is clicked, you'll see how the three arguments of the

Re: [Jmol-users] picking atoms

2010-12-16 Thread Michael Evans
Jan—you will want to play around with *set PickCallbackhttp://chemapps.stolaf.edu/jmol/docs/#setcallback *, which establishes a Javascript function that processes Jmol's output when an atom or group of atoms is selected. To see what exactly Jmol returns, check out the pickCallback section of this

Re: [Jmol-users] Connecting atoms of different models

2010-12-10 Thread Michael Evans
Angel—there doesn't appear to be a way to connect atoms from different models, at least according to the documentation. I have tried loading two models, selecting one atom in each, and these commands: connect (selected); connect (selected and 1.1) (selected and 1.2); Neither results in the

Re: [Jmol-users] proposed default change for 12.2 CIF files

2010-12-08 Thread Michael Evans
Bob—an official vote from from labmate who uses Jmol to display crystal structures for this one. Any chance it could get placed in the next release of 12.0? Cheers, Mike On Tue, Dec 7, 2010 at 8:58 AM, Robert Hanson hans...@stolaf.edu wrote: Brian, yes, in fact I did notice that one. Odd that

Re: [Jmol-users] Version 12.0.24 -- important! Jmol State reading/writing!

2010-12-07 Thread Michael Evans
Whew, thanks Bob! Miraculously this never caused a problem for me (that I know of), even though I had 200+ students saving state files... Cheers, Mike On Tue, Dec 7, 2010 at 9:12 AM, Robert Hanson hans...@stolaf.edu wrote: Jmol users, If you have recently upgraded to any versions Jmol

[Jmol-users] set picking measure...?

2010-11-23 Thread Michael Evans
Is it just me, or is set picking measure broken in 12.0.22? When I try to measure a distance between two atoms, the measurement instantly disappears. Measuring bond and dihedral angles works fine, however. What am I missing? Cheers, Mike -- Mike Evans Organic Chemistry Graduate Student Moore

[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

[Jmol-users] Solid Location for Jmol's Changelog

2010-11-01 Thread Michael Evans
Lords (and lasses?) of Jmol—is there a solid location that I can bookmark containing the official Jmol change log? I think a problem I'm having is related to a bug in my current version, and (go ahead, call me lazy) I'd rather look it up to see if it's fixed in a later version than update Jmol to

Re: [Jmol-users] Solid Location for Jmol's Changelog

2010-11-01 Thread Michael Evans
/Jmol/src/org/jmol/viewer/Jmol.properties?view=markup Nico On Mon, Nov 1, 2010 at 9:30 PM, Michael Evans evan...@illinois.eduwrote: Lords (and lasses?) of Jmol—is there a solid location that I can bookmark containing the official Jmol change log? I think a problem I'm having is related to a bug

Re: [Jmol-users] default style setting

2010-10-28 Thread Michael Evans
Xiao-Ping—there are *tons* of resources available! The Jmol Website - http://jmol.sourceforge.net/ The Jmol Wiki - http://wiki.jmol.org/index.php/Main_Page The Interactive Script Documentation - http://chemapps.stolaf.edu/jmol/docs/ If you can't find what you're looking for there, there's always

Re: [Jmol-users] Jmol and DSSP

2010-09-30 Thread Michael Evans
Bob—consider us interested. We teach a lesson on protein secondary structures, and something like this could come in handy. Cheers, Mike On Thu, Sep 30, 2010 at 10:30 PM, Robert Hanson hans...@stolaf.edu wrote: Jmol users interested in protein visualization: Is there any interest in having

Re: [Jmol-users] Clarification of plot ramachandran r

2010-09-21 Thread Michael Evans
on the manuscript for this... There's a PowerPoint presentation I gave on the subject at last year's ACS meeting. See http://chemapps.stolaf.edu/jmol/presentations/acs2009 On Mon, Sep 20, 2010 at 11:19 PM, Michael Evans evan...@illinois.eduwrote: Bob + other Lords of Jmol—I'm looking for some

Re: [Jmol-users] Jmol in the Classroom

2010-09-20 Thread Michael Evans
Wow, I had no idea Jmol could generate Ramachandran plots on the fly! Remarkable! On Mon, Sep 20, 2010 at 1:19 PM, Jeff Hansen jhan...@depauw.edu wrote: I just checked this out. I sporadically observed this behavior of zooming instead of rotating. It didn't always happen even after loading

[Jmol-users] Clarification of plot ramachandran r

2010-09-20 Thread Michael Evans
Bob + other Lords of Jmol—I'm looking for some clarification of the plot ramachandran r specification from the Interactive Script Docs; particularly the definition of theta. It makes sense to me that theta is approximately the sum of delta phi and delta psi. I get lost with two points: - How

Re: [Jmol-users] another crash (12.0.11)

2010-09-05 Thread Michael Evans
Hmm, might I suggest an orange-ish color, maybe something akin to #ffa500? Orange is about the farthest color away from the colors that already exist in that scheme right now. My second place vote goes to a deep navy blue. Now for the real reason for my e-mail: I want to make sure I understand

Re: [Jmol-users] jmol downloads top 400,000

2010-09-02 Thread Michael Evans
Oh man, this number is only going to grow! On Thu, Sep 2, 2010 at 2:28 PM, Robert Hanson hans...@stolaf.edu wrote: Just noticed that there have been over 437,000 downloads of Jmol. Wow! -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057

[Jmol-users] General Versioning Question

2010-08-27 Thread Michael Evans
Lords of Jmol--I just had a quick versioning question. As Jmol 12 blossoms into a number of versions after its initial release, which (if any) do you advise for production usage? What's a tell-tale sign that I should switch from, say, 12.0.x to 12.1.x? Cheers, Mike -- Mike Evans Organic

Re: [Jmol-users] does someone else experience painfully slow callbacks in firefox on mac osx?

2010-08-16 Thread Michael Evans
Seconded. I thought this would be fixed back when the 200 ms issue was fixed, but I'm still experiencing slow callbacks. On Mon, Aug 16, 2010 at 8:50 AM, Alexander Rose alexander.r...@weirdbyte.de wrote: Hi, does someone else experience painfully slow callbacks in firefox on mac osx?

Re: [Jmol-users] does someone else experience painfully slow callbacks in firefox on mac osx?

2010-08-16 Thread Michael Evans
Sweet! Wonder what's different about 4.0? On Mon, Aug 16, 2010 at 4:37 PM, Alexander Rose alexander.r...@weirdbyte.de wrote: Hi, Am 16.08.2010 um 17:48 schrieb Philip Bays: This seems to be another example of Mac Firefox (and I suspect Camino and SeaMonkey) behaving differently. I would

[Jmol-users] Problems with JVXL Files?

2010-08-15 Thread Michael Evans
Jmol team--I've had problems lately with JVXL files in Jmol. In Jmol 12.0.2, I cannot get them to load at all. Has something changed with respect to the file specification for JVXL files in Jmol 12, or could this be a bug? Here's an example of a simple applet that is supposed to load a JVXL

Re: [Jmol-users] Problems with JVXL Files?

2010-08-15 Thread Michael Evans
JVXL file. On Sun, Aug 15, 2010 at 11:11 AM, Michael Evans evan...@illinois.eduwrote: Jmol team--I've had problems lately with JVXL files in Jmol. In Jmol 12.0.2, I cannot get them to load at all. Has something changed with respect to the file specification for JVXL files in Jmol 12

Re: [Jmol-users] Performance issue with setcallback useCommandThread

2010-07-23 Thread Michael Evans
FYI, I run into the same problem in the Firefox version of our Jmol Interface, except using a JmolScript call in a pickCallback method. On Fri, Jul 23, 2010 at 12:52 PM, Robert Hanson hans...@stolaf.edu wrote: On Fri, Jul 23, 2010 at 9:18 AM, Paul Pillot paul.pil...@ac-orleans-tours.fr

[Jmol-users] Applet coming through dynamic iframe

2010-07-22 Thread Michael Evans
Jmolians--I'm having an interesting problem with Jmol applets in dynamically loaded iframes. https://wiki.cites.uiuc.edu/wiki/display/CHEM332Molmodac/expt In the page linked above, the applet at the very bottom of the page is displaying just fine--exactly the way I want it to, in the proper

Re: [Jmol-users] Applet coming through dynamic iframe

2010-07-22 Thread Michael Evans
Scratch that; it's not working as well as I thought. It loads the state script in the uncloaked applet, oddly enough, only after the page has been re-loaded. On Thu, Jul 22, 2010 at 11:20 AM, Michael Evans evan...@illinois.eduwrote: Jmolians--I'm having an interesting problem with Jmol applets

Re: [Jmol-users] Jmol-users Digest, Vol 50, Issue 44

2010-07-20 Thread Michael Evans
for the + and - cases and update the color for each one. Let me know what you come up with. Jonathan On Jul 20, 2010, at 5:59 AM, jmol-users-requ...@lists.sourceforge.net wrote: Date: Mon, 19 Jul 2010 16:39:39 -0500 From: Michael Evans evan...@illinois.edu Subject: [Jmol-users] Using multiple

[Jmol-users] Using multiple jmolColorPickers in a single command?

2010-07-19 Thread Michael Evans
Is there a way to use input from two different color pickers in a single Jmol command? I'm thinking along the lines of isosurface and MO. A way to set the positive and negative colors for these commands independently would obviate the need for this feature (if it doesn't exist already), but it

[Jmol-users] Animations of Gaussian Geometry Optimization

2010-06-15 Thread Michael Evans
Lords of Jmol: I came across an interesting question the other day. A student wants to use Gaussian .log output to build an animation of the geometry minimization process from Gaussian's point of view, with each frame corresponding to a different geometry until the optimized structure is reached.

Re: [Jmol-users] Jmol model kit and docking

2010-05-27 Thread Michael Evans
Bob--this is truly amazing! Our students just last semester were asking about docking small molecules to proteins in Jmol...this'll be interesting to explore with existing PDB structures...wonder if Jmol agrees with the crystal structures from an energetic and conformational point of view? That'd