Re: [Jmol-developers] GAMESS reader/ bug report

2010-08-18 Thread Jonathan Gutow
I got the latest version up and running. There definitely has been a change in file format...It may just be for UHF on linear molecules. I'll generate an additional set of test files to check this. Jonathan On Aug 18, 2010, at 4:48 PM, Jonathan Gutow wrote: We'll figure it out. I need

Re: [Jmol-developers] Getting rid of 'dead code' warnings ?

2010-08-17 Thread Jonathan Gutow
Nico, Can you point to a specific piece of offending code? If the statements really are the syntax you are suggesting they make little sense. Jonathan On Aug 17, 2010, at 12:12 PM, Nicolas Vervelle wrote: Hi, Could we get rid of the 'dead code' warnings ? Most of them are due to

Re: [Jmol-developers] Java 1.5 ?

2010-07-24 Thread Jonathan Gutow
On Jul 24, 2010, at 6:00 AM, Nicolas Vervelle wrote: Hi everyone, We are currently building Jmol for at least Java 1.5. What about modifying Jmol code to take more advantages of Java 1.5 features (annotations, generics, ...) ? I'm all for anything that improves performance or makes the

Re: [Jmol-developers] Jmol 12.0 next Wednesday.

2010-07-20 Thread Jonathan Gutow
Seems OK by me. Jonathan On Jul 20, 2010, at 3:59 PM, Robert Hanson wrote: Please let me know if this is going to be a problem. We'll also release one last minor update of Jmol 11.8. Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN

[Jmol-developers] Has anybody tried compiling a version of Jmol for Android?

2010-07-18 Thread Jonathan Gutow
I was wondering if Android would support java applets in browsers, but so far it does not. Part of the problem appears to be that the GUI in Android is just a kind of JVM, which makes it difficult to launch another JVM inside it. I found a little that suggests it can be done, but nothing very

Re: [Jmol-developers] Is is time to update the vecmath library we use?

2010-07-14 Thread Jonathan Gutow
vecmath is definitely not part of the Java API. I've only been able to find it as part of Java3D. Jonathan On Jul 14, 2010, at 3:22 AM, Egon Willighagen wrote: On Tue, Jul 13, 2010 at 9:40 PM, Miguel Howard mig...@jmol.org wrote: Bob Nico, we used to use a 3rd party implementation of

Re: [Jmol-developers] wording change

2010-07-14 Thread Jonathan Gutow
I find this very amusing as before the applet tag there was just the object tag...So now we're reverting! Jonathan On Jul 14, 2010, at 2:48 PM, Angel Herráez wrote: Bob is probably more knowledgeable than me, but this is how I see things: If you have the HTML4 doctype in the header, the

Re: [Jmol-developers] null pointer or index out of bounds error in WebExport...

2010-07-10 Thread Jonathan Gutow
Bob, I'm trying to track the error you reported. I think I've found it, but want to verify that I am looking at the right situation. I see problems when I click on the checkboxes without having added any views/ instances to the Instance list. Is that the situation you saw problems in or

Re: [Jmol-developers] null pointer or index out of bounds error in WebExport...

2010-07-10 Thread Jonathan Gutow
Ok, I'll fix that. Just wanted to make sure I shouldn't be looking for another problem too. Jonathan On Jul 10, 2010, at 10:27 AM, Robert Hanson wrote: yes, that's what I saw, On Sat, Jul 10, 2010 at 8:59 AM, Jonathan Gutow gu...@uwosh.edu wrote: Bob, I'm trying to track the error

Re: [Jmol-developers] bug in WebExport

2010-07-09 Thread Jonathan Gutow
at 9:19 AM, Jonathan Gutow gu...@uwosh.edu wrote: I agree they are very spread out, but the intent is to add quite a few more and there won't be room across the top. Jonathan On Jul 8, 2010, at 8:29 AM, Robert Hanson wrote: PS, I think it would be nicer to have those checkboxes packed

Re: [Jmol-developers] bug in WebExport

2010-07-08 Thread Jonathan Gutow
a snapshot. On Wed, Jul 7, 2010 at 7:12 PM, Jonathan Gutow gu...@uwosh.edu wrote: Haven't seen this. Which browser, os and local or server? Sent from my iPod Jonathan Gutow jgu...@new.rr.com On Jul 7, 2010, at 4:09 PM, Robert Hanson hans...@stolaf.edu wrote: I get a null pointer

Re: [Jmol-developers] bug in WebExport

2010-07-08 Thread Jonathan Gutow
click on a checkbox in the application WebExport dialog before you create a snapshot. On Wed, Jul 7, 2010 at 7:12 PM, Jonathan Gutow gu...@uwosh.edu wrote: Haven't seen this. Which browser, os and local or server? Sent from my iPod Jonathan Gutow jgu...@new.rr.com On Jul 7, 2010

Re: [Jmol-developers] Could we enhance the Jmol.js functions such as jmolButton to accept appletIDs ?

2010-07-07 Thread Jonathan Gutow
Hmm...let me look at this again. I'm now confused. I thought we decided that jmolColorPicker should take an appletID. It is much more convenient for using all these functions to just specify the appletID in the call to the function. I'm still not clear on why one would want to use a

Re: [Jmol-developers] bug in WebExport

2010-07-07 Thread Jonathan Gutow
Haven't seen this. Which browser, os and local or server? Sent from my iPod Jonathan Gutow jgu...@new.rr.com On Jul 7, 2010, at 4:09 PM, Robert Hanson hans...@stolaf.edu wrote: I get a null pointer exception immediately when I open the Pop-In Jmol page and click a checkbox. -- Robert M

Re: [Jmol-developers] bug in WebExport

2010-07-07 Thread Jonathan Gutow
Some good ideas. On Jul 7, 2010, at 4:54 PM, Robert Hanson wrote: A few more, while we are at it... id=AnimContrl not showing suffix 0,1,2,etc. Have to check this. We should be keeping track of which is which, thanks. JmolColorPickerBox(scriptStr, [0,0,0], 'backbox1', '1') is

[Jmol-developers] Could we enhance the Jmol.js functions such as jmolButton to accept appletIDs ?

2010-07-05 Thread Jonathan Gutow
While working on jmolColorPicker and the widgets in WebExport, I've realized that the behavior of our javascript utility functions is inconsistent. Some of them take and appletID and some of them need the appletID set before they are called using another function. I would like to propose that

[Jmol-developers] Is is time to update the vecmath library we use?

2010-07-05 Thread Jonathan Gutow
I was looking at the api documenttation for javax.vecmath and realized that the present release is 1.5.2 while we have 1.2 in Jmol. Do we want to update this? Jonathan Dr. Jonathan H. Gutow Chemistry Departmentgu...@uwosh.edu UW-Oshkosh

Re: [Jmol-developers] Is is time to update the vecmath library we use?

2010-07-05 Thread Jonathan Gutow
, 2010, at 10:31 AM, Egon Willighagen wrote: On Mon, Jul 5, 2010 at 4:44 PM, Jonathan Gutow gu...@uwosh.edu wrote: I was looking at the api documenttation for javax.vecmath and realized that the present release is 1.5.2 while we have 1.2 in Jmol. Do we want to update

Re: [Jmol-developers] Seeing odd behavior from FF on MacOSX...

2010-06-30 Thread Jonathan Gutow
it using print load(https://...;) and see what it says there. Bob On Tue, Jun 29, 2010 at 4:59 PM, Jonathan Gutow gu...@uwosh.edu wrote: I think this is a MacOSX FF bug. This problem does not occur using webkit browsers in MacOSX. I've also only seen it with Jmol inside

[Jmol-developers] Seeing odd behavior from FF on MacOSX...

2010-06-29 Thread Jonathan Gutow
I think this is a MacOSX FF bug. This problem does not occur using webkit browsers in MacOSX. I've also only seen it with Jmol inside SageMath. Here's what I see in the Java Console. FileManager opening https://141.233.197.45:4443/home/gutow/7/cells/1/sage0-size500.jmol?1277842997 script

Re: [Jmol-developers] Something funny about WebExport's save...

2010-06-18 Thread Jonathan Gutow
This seems better. I still think we should consider whether to make things more similar to standard GUI programs, but this present behavior should not cause people trouble. Jonathan On Jun 17, 2010, at 2:08 PM, Robert Hanson wrote: The JFileChooser automatically jumps into a directory when

Re: [Jmol-developers] Something funny about WebExport's save...

2010-06-17 Thread Jonathan Gutow
This is going to be very confusing to the user, if we actually show the .html extension. I suggest we go to standard GUI program behavior. I think we need Save and Save As... options just as in most standard GUI programs. If no directory of the chosen name exists then one is created and

[Jmol-developers] Something funny about WebExport's save...

2010-06-16 Thread Jonathan Gutow
Bob and Angel, Presently if you try to save a WebExport page with the same name as one you've already made (ie update it), you end up opening the existing directory and saving a new one inside of it. I thought we had set this up to just replace the files within the existing directory. Bob,

[Jmol-developers] My tests suggest the widgets are now working pretty well in WebExport...

2010-06-16 Thread Jonathan Gutow
Angel, I think everything you've done is working in web export. Thanks. I haven't found any problems. I still have to fire up a Windows VM and play with IE, but not problems in Mozilla and WebKit browsers. I'm going to see if I can get my cranky windows VM to boot. I'll let you know if I

Re: [Jmol-developers] WebExport local path is not matched in the generated pages

2010-06-16 Thread Jonathan Gutow
OK, I'll check that too. Thought I'd finally fixed that. Jonathan On Jun 16, 2010, at 5:41 PM, Angel Herráez wrote: Jonathan, the local path issue is still not working 12.0.RC19 I have .. set in both server and local paths in the ExportToWeb panel. The page I get (both PopIn or

Re: [Jmol-developers] My tests suggest the widgets are now working pretty well in WebExport...

2010-06-16 Thread Jonathan Gutow
Found it and committed a fix. You had missed a few links when translating and were still linking to the English pages. Jonathan On Jun 16, 2010, at 5:30 PM, Angel Herráez wrote: Ok, so I've just tested RC19 The WebPageMaker Help pages display all in Spanish, until when I click on the

Re: [Jmol-developers] WebExport local path is not matched in the generated pages

2010-06-16 Thread Jonathan Gutow
Fixed in my last commit. Sorry, I did a copy and paste from a test page and deleted the flags to replace these values with the user values. It seems to all be working now. Please give it one last test. Thanks, Jonathan On Jun 16, 2010, at 5:41 PM, Angel Herráez wrote: Jonathan, the local

Re: [Jmol-developers] possible 11.8.24 applet state inconsistency...

2010-06-10 Thread Jonathan Gutow
debug ON when you create the applet and see what it tells you in those cases. Bob On Wed, Jun 9, 2010 at 11:34 AM, Jonathan Gutow gu...@uwosh.edu wrote: I'm getting the following inconsistent behavior from the 11.8.24 applet. There is still some possibility that it is related to problems

Re: [Jmol-developers] pymol2jmol, a Proteopedia project

2010-06-09 Thread Jonathan Gutow
Although not very familiar with pymol I think the following translations might work: two_sided_lighting -- fullylit cartoon_fancy_sheets --- turn on antialias for cartoons Anybody have other ideas or corrections? Jonathan On Jun 9, 2010, at 7:07 AM, jaime.prilu...@weizmann.ac.il wrote: Dear

[Jmol-developers] possible 11.8.24 applet state inconsistency...

2010-06-09 Thread Jonathan Gutow
I'm getting the following inconsistent behavior from the 11.8.24 applet. There is still some possibility that it is related to problems with communicating with a server that is also updating the pages, but I think I have eliminated those problems. This is for the SAGEMATH package. What

[Jmol-developers] question about how planes are defined...

2010-06-08 Thread Jonathan Gutow
I'm working on a slicer tool and want to make sure I'm clear about how planes are defined within the transform manager as I want to adjust the slab and depth planes in real time based on user input. Here's my understanding. 1) Planes are defined by point4f's where the x, y, z coordinates

Re: [Jmol-developers] Problem with 10.6 MacOS was a JVM problem....

2010-05-23 Thread Jonathan Gutow
track that down? Bob On Sat, May 22, 2010 at 10:13 PM, Jonathan Gutow gu...@uwosh.edu wrote: I think on 10.6.3 macs the script interpreter is running afoul of the 64-bit hotspot VM when it starts the processes to create the console. Webkit browsers are defaulting to that rather

[Jmol-developers] I think I've found the problem with starting the console on 10.6.3 Macs using scripts...

2010-05-22 Thread Jonathan Gutow
I think on 10.6.3 macs the script interpreter is running afoul of the 64-bit hotspot VM when it starts the processes to create the console. Webkit browsers are defaulting to that rather than the 32 bit version. Any idea if we are using code that is not 64 bit compliant in the applet? I

[Jmol-developers] More on class loading...

2010-05-22 Thread Jonathan Gutow
From the changes on going to J2SE (which appear to be implemented in JSE 6. Maybe this relates? Class Loader - Previously, it was possible to specify a non-binary class name to ClassLoader methods that take a String class name argument. This unintended behaviour was not compliant with the

Re: [Jmol-developers] Odd behavior and threads...found an error message!

2010-05-11 Thread Jonathan Gutow
PM, Jonathan Gutow gu...@uwosh.edu wrote: OK. It doesn't get very far. Here's all I see. JmolConsole is initializing AppletConsole initialized Interface.java Error creating instance for org.jmol.applet.AppletConsole: null Definitely still works in non-webKit browsers like FireFox. I get

Re: [Jmol-developers] Odd behavior and threads...found an error message!

2010-05-10 Thread Jonathan Gutow
Messages will appear here. Enter commands in the box below. Click the console Help menu item for on-line help, which will appear in a new browser window. null On Sun, May 9, 2010 at 10:46 AM, Jonathan Gutow gu...@uwosh.edu wrote: Yep, it fails after initializing attributes

Re: [Jmol-developers] Odd behavior and threads...found an error message!

2010-05-09 Thread Jonathan Gutow
=,preferredSize=],rootPaneCheckingEnabled=true] set(3) AppletConsole is initializing...viewer I'm betting you get some of that but not all. Bob On Thu, May 6, 2010 at 9:27 PM, Jonathan Gutow gu...@uwosh.edu wrote: Yes, the error message comes from testing on your site. But I see the same

Re: [Jmol-developers] Odd behavior and threads...found an error message!

2010-05-06 Thread Jonathan Gutow
I saw the problem initially when I was testing locally. I'm pretty sure I was using JmolApplet.jar at that point, but will check again tonight. Jonathan On May 6, 2010, at 11:20 AM, Robert Hanson wrote: much simpler problem! So my first thought is that there is something missing in the

Re: [Jmol-developers] Odd behavior and threads...found an error message!

2010-05-06 Thread Jonathan Gutow
JmolApplet0.jar. On Thu, May 6, 2010 at 12:37 PM, Jonathan Gutow gu...@uwosh.edu wrote: I saw the problem initially when I was testing locally. I'm pretty sure I was using JmolApplet.jar at that point, but will check again tonight. Jonathan On May 6, 2010, at 11:20 AM, Robert Hanson wrote

Re: [Jmol-developers] Fwd: Little more info on the hang on calling console from a web page...

2010-05-05 Thread Jonathan Gutow
, Jonathan Gutow gu...@uwosh.edu wrote: Begin forwarded message: From: Jonathan Gutow jgu...@new.rr.com Date: May 3, 2010 9:06:30 PM CDT To: jmol-developers@lists.sourceforge.net Subject: Little more info on the hang on calling console from a web page... onclick=void(jmolScript

Re: [Jmol-developers] Odd behavior and threads...found an error message!

2010-05-05 Thread Jonathan Gutow
I've tried playing with the java console. In FireFox, which worked before, opening the java console adds one thing to the thread list (last item): Group http://chemapps.stolaf.edu/jmol/docs/examples-11/-threadGroup,ac=4,agc=0,pri=4 thread applet-JmolApplet,4,alive

Re: [Jmol-developers] Odd behavior (bug?) with the console script command...

2010-05-04 Thread Jonathan Gutow
Working fine on the following Mac combination: Safari: 4.0.5 (5531.22.7) MacOS X 10.5.8 I'll check at home again with 10.6, where the problem occurred. Maybe, I've got behind on my Safari upgrades. On May 4, 2010, at 9:08 AM, Robert Hanson wrote:

Re: [Jmol-developers] Odd behavior (bug?) with the console script command...

2010-05-03 Thread Jonathan Gutow
Same problem I'm having with my web pages. No longer works in Safari. Everything else does. Maybe we have a problem in Jmol.js or WebKit has changed? Jonathan On May 3, 2010, at 8:47 PM, Robert Hanson wrote: Hmm, it's a standard operation. Are you seeing the problem at

[Jmol-developers] Fwd: Little more info on the hang on calling console from a web page...

2010-05-03 Thread Jonathan Gutow
Begin forwarded message: From: Jonathan Gutow jgu...@new.rr.com Date: May 3, 2010 9:06:30 PM CDT To: jmol-developers@lists.sourceforge.net Subject: Little more info on the hang on calling console from a web page... onclick=void(jmolScript('console')); works in FireFox

Re: [Jmol-developers] Odd behavior (bug?) with the console script command...

2010-05-03 Thread Jonathan Gutow
Pretty convinced it is a webkit problem. OmniWeb 5.10 has the same problem. Jonathan On May 3, 2010, at 9:11 PM, Jonathan Gutow wrote: Same problem I'm having with my web pages. No longer works in Safari. Everything else does. Maybe we have a problem in Jmol.js or WebKit has changed

Re: [Jmol-developers] Odd behavior (bug?) with the console script command...

2010-05-02 Thread Jonathan Gutow
Actually, I get worse behavior if I use JmolScript(), an almost complete hang . The popup menu still shows up, but doesn't seem to allow selection.version 12.0RC9 Jonathan On May 1, 2010, at 5:17 PM, Jonathan Gutow wrote: I get the same result with jmolScript(). Jonathan On May 1

Re: [Jmol-developers] Odd behavior (bug?) with the console script command...

2010-05-01 Thread Jonathan Gutow
I get the same result with jmolScript(). Jonathan On May 1, 2010, at 3:36 PM, Robert Hanson wrote: no, no -- don't use JmolScriptWait. Why use wait? On Fri, Apr 30, 2010 at 9:51 PM, Jonathan Gutow gu...@uwosh.edu wrote: Bob, I was adding your requested Jmol Console button to the widgets

[Jmol-developers] Odd behavior (bug?) with the console script command...

2010-04-30 Thread Jonathan Gutow
Bob, I was adding your requested Jmol Console button to the widgets and ran into some odd behavior while testing it. The following javascript call must be used twice to make the console open and it pretty much hangs all other Jmol activity. The Console menu item in the popup seems to work

Re: [Jmol-developers] question about accessing resources inside the Jmol.jar file...

2010-04-29 Thread Jonathan Gutow
); return null; } return buf; } On Wed, Apr 28, 2010 at 8:06 PM, Jonathan Gutow gu...@uwosh.edu wrote: I've run into a problem using some of the internal resources inside the Jmol.jar for WebExport. If anybody knows what I'm doing wrong please let me know. Running inside Eclipse

[Jmol-developers] Can I build a distribution without rebuilding the javadocs?

2010-04-29 Thread Jonathan Gutow
Because webexport accesses files that are distributed with Jmol, I like to test changes using a rebuilt distribution. However, recreating the javadocs takes a long time. Can I create a distribution without going through the javadocs rebuild? hmm...in the background javadoc is now giving a

Re: [Jmol-developers] question about accessing resources inside the Jmol.jar file...

2010-04-29 Thread Jonathan Gutow
Bob et al., I figured it out. I was using calls of the form object.getClass().getResource(), which can only access things within the calling class. Your suggested call to ClassLoader.getSystemResource(fullPath) works. I'm doing something a little simpler in WebExport so didn't use anything

Re: [Jmol-developers] 2D/3D project

2010-04-28 Thread Jonathan Gutow
My question exactly. On Apr 28, 2010, at 12:45 PM, Egon Willighagen wrote: Like JChemPaint? Egon If this were done, might it be best to keep them as separate applications and make sure they can communicate or is it worth folding them into one application? I worry about Jmol getting to

[Jmol-developers] question about accessing resources inside the Jmol.jar file...

2010-04-28 Thread Jonathan Gutow
I've run into a problem using some of the internal resources inside the Jmol.jar for WebExport. If anybody knows what I'm doing wrong please let me know. Running inside Eclipse my code works. As a compiled .jar I find that the resource URL is null instead of a usable value. Note it continues

Re: [Jmol-developers] Java 1.5

2010-04-27 Thread Jonathan Gutow
Should be OK for Macs. Linux users that are not updating should. I assume Windows is beyond that version too. Jonathan On Apr 27, 2010, at 4:17 PM, Robert Hanson wrote: Does it matter that Jmol 12 will require Java 1.5? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College

Re: [Jmol-developers] Need some opinions on where to put resources used by WebExport...

2010-04-26 Thread Jonathan Gutow
I think that is the best option, but it requires rewriting some of the resource access code in WebExport, which assumes things are in webexport.html by default. It turns out there was also a problem with reading binary and not text files (copybinaryfiles will only read external resources

[Jmol-developers] Need some opinions on where to put resources used by WebExport...

2010-04-25 Thread Jonathan Gutow
Dear All: In the Animation control widget, I am developing for WebExport, I use some of the standard button icons used in Jmol. Up to this point we have kept all the resources for WebExport in the WebExport/html part of the .jar file. The question is whether we should continue to keep this

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

2010-04-08 Thread Jonathan Gutow
Eran and Henry, I agree this is something we need to worry about. I've looked into the cross-compiler a little. It might work, but will require some heavy lifting on the part of someone. The other problem is that to get set up to deal with the proprietary Apple environment requires an

Re: [Jmol-developers] developer alert

2010-04-08 Thread Jonathan Gutow
I won't touch anything until you are done. Jonathan On Apr 8, 2010, at 12:15 PM, Robert Hanson wrote: Major refactoring in Jmol going on right now. Please let me know if you are working on code. Shouldn't affect translation. Bob -- Robert M. Hanson Professor of Chemistry St. Olaf

Re: [Jmol-developers] Based on response at ACS I have a demo thatwe might want to use on the Jmol web site...

2010-04-04 Thread Jonathan Gutow
Angel, That sounds like a good idea. Here's the link to everything in one .zip. http://www.uwosh.edu/faculty_staff/gutow/Jmol_Web_Page_Maker/Examples.zip It's about 2.4 MB with all the associated data files. Jonathan On Apr 4, 2010, at 10:59 AM, Herráez Sánchez Ángel wrote:

Re: [Jmol-developers] Based on response at ACS I have a demo that we might want to use on the Jmol web site...

2010-04-01 Thread Jonathan Gutow
...@stolaf.edu wrote: ABSOLUTELY One suggestion -- for the echo fonts I suggest: font echo 20 bold Bob On Mon, Mar 29, 2010 at 3:47 PM, Jonathan Gutow gu...@uwosh.edu wrote: Dear All, The demo of Jmol capabilities available at the link below got Ooohs and Aaahs at the National ACS

[Jmol-developers] Based on response at ACS I have a demo that we might want to use on the Jmol web site...

2010-03-29 Thread Jonathan Gutow
Dear All, The demo of Jmol capabilities available at the link below got Ooohs and Aaahs at the National ACS meeting I just presented at. I had it running in the middle of my title slide. Since people liked it, I think we should consider either using this as the demo on the Jmol web page

Re: [Jmol-developers] connect command question

2010-03-18 Thread Jonathan Gutow
On Mar 18, 2010, at 12:35 PM, R. Kent Wenger wrote: On Thu, 18 Mar 2010, Jonathan Gutow wrote: Since you've selected your bonds in the connect command just follow that line with color bond blue You can insert your favorite color:) So you're saying that the color part is an entirely

[Jmol-developers] Are the new*.htm pages supposed to have giant applets?

2010-03-18 Thread Jonathan Gutow
Bob, I was just looking at your new*.htm pages as I prepare my ACS presentation. The applet is huge in these pages. Is that intentional? It ends up with the div it is in as a scrolling div. MacOS 10.5, Firefox 3.6 and Safari 4.05. Jonathan Dr. Jonathan

Re: [Jmol-developers] Running Jmol using source files

2010-03-14 Thread Jonathan Gutow
Pravin, The Jmol code is quite opaque because things are reused as much as possible. Since you've loaded Eclipse I suggest you follow the code by using the open declaration option in the right-button menu. This will help you dig into what is being done. You probably want to start

[Jmol-developers] Speaking of reusing code...I will take out my Hex--decimal routines...

2010-03-14 Thread Jonathan Gutow
My last post reminded me that I haven't replaced my quick and dirty Hex-- decimal routines in the new web export code I just checked in with the ones from g3d. I may not have time to get to that until next week, but I am aware that it needs to be done. Jonathan

Re: [Jmol-developers] where are we hiding hexadecimal color to rgb color translator...

2010-03-09 Thread Jonathan Gutow
at a time... On Sun, Mar 7, 2010 at 1:11 PM, Jonathan Gutow gu...@uwosh.edu wrote: Dear fellow developers: I know we somewhere have the code for translating rgb color codes into hexadecimal (since scripts take either). org.jmol.util.Escape public static String getHexColorFromRGB(int argb

[Jmol-developers] where are we hiding hexadecimal color to rgb color translator...

2010-03-07 Thread Jonathan Gutow
Dear fellow developers: I know we somewhere have the code for translating rgb color codes into hexadecimal (since scripts take either). Do we also have the reverse? And where are we hiding it? I'm trying to cleanly mesh some existing javascript widgets with Jmol through WebExport and would

Re: [Jmol-developers] Plotting data with Jmol (question)

2010-02-18 Thread Jonathan Gutow
3-D plotting with Jmol is possible. The largest variety of examples is within the SAGEmath package. See for example a preliminary reworking of the SAGE 3-D interface that uses Jmol (https://141.233.197.45:4443/home/pub/0/ NOTE: i'm using a self-signed security certificate that will

Re: [Jmol-developers] Extend Jmol to crystal files

2010-02-09 Thread Jonathan Gutow
I believe you must create your own SourceForge account first. This is not the same thing as being given commit rights to the Jmol project. Jonathan On Feb 9, 2010, at 9:38 AM, P.Canepa wrote: I tried to check out the Jmol with eclipse as you explained in the guide online

Re: [Jmol-developers] mega upgrade

2010-02-01 Thread Jonathan Gutow
Can't think of anything I've worked on that requires the backwards compatibility. We'll just have to test. Jonathan On Feb 1, 2010, at 3:58 PM, Robert Hanson wrote: Well, a little project I started over the weekend turned into a monster. But I think it's done, and if there are no bugs,

Re: [Jmol-developers] Fwd: Van der Waal radii -- fixed (?) -- comments welcome -- proposed defaults change

2010-01-10 Thread Jonathan Gutow
I agree with Angel's comments below except that I think the auto feature is a good idea. It may be a little strange to handle different files differently, but pdb files without H's would give a strange idea of the molecule size if you use the new BABEL settings instead of the JMOL (which

[Jmol-developers] GUI colorpicker and Jmol Widgets...

2010-01-03 Thread Jonathan Gutow
Bob et al.. I like the idea of a Jmol widgets package. However, we will have to think a little about what should be where. Many of the things such as buttons and menus that are in Jmol javascript are just widgets too. We have to be careful about moving them for backwards

Re: [Jmol-developers] Some questions about available information as part of an isosurface, Point3f...

2009-12-26 Thread Jonathan Gutow
Bob, This sounds good. I will try to get a look at it. I have rather limited network access at the moment, so don't expect much feedback for a while. On the rotations, I think I understand what you are talking about. Your problem is not the rotations, but deciding what set of

[Jmol-developers] Some questions about available information as part of an isosurface, Point3f...

2009-12-19 Thread Jonathan Gutow
I think these questions are primarily for Bob. I'm starting to look at the plot3D class and think about what would need to be extracted from surfaces provided as meshes/jvxl to plot and scale them. I haven't looked at this portion of the code in detail before so have a few questions: 1)

Re: [Jmol-developers] Should the value of defaultdirectory be in the script returned by jmolGetPropertyAsString(stateInfo, all, n)?

2009-12-18 Thread Jonathan Gutow
, Jonathan Gutow gu...@uwosh.edu wrote: As I've been playing with making user changes in the Jmol view transfer to pop-up applets I've run into the fact that the returned stateinfo does not include the setting of defaultdirectory. Is this intentional? If so I can work around

[Jmol-developers] Should the value of defaultdirectory be in the script returned by jmolGetPropertyAsString(stateInfo, all, n)?

2009-12-17 Thread Jonathan Gutow
As I've been playing with making user changes in the Jmol view transfer to pop-up applets I've run into the fact that the returned stateinfo does not include the setting of defaultdirectory. Is this intentional? If so I can work around it. If not are there any objections to putting it

Re: [Jmol-developers] Question/request from SAGEmath for mesh displays...

2009-11-30 Thread Jonathan Gutow
JVXL file format now allows for arbitrary lines drawn on a mesh. Any color, any direction, any number. So that is the real way to go -- produce JVXL files that can display the desired lines and load them. mesh is not up to it. Bob On Fri, Nov 27, 2009 at 10:25 AM, Jonathan Gutow gu

[Jmol-developers] Question/request from SAGEmath for mesh displays...

2009-11-27 Thread Jonathan Gutow
I've been cooperating with the SAGE development team to get Jmol working better for viewing 3-D plots in SAGE. We are still discussing what a plot primitive would look like, but I ultimately think that is the way things should go. However, a separate issue of how meshes look has come up.

Re: [Jmol-developers] jmolApplet call appears to ignore my applet suffix?

2009-11-17 Thread Jonathan Gutow
compact form of if: if (xxx == undefined) xxx=yyy as xxx == undefined (=yyy) same s xxx != undefined || (=yyy) Bob On Sun, Nov 15, 2009 at 5:05 PM, Jonathan Gutow gu...@uwosh.edu wrote: Bob, I think you're correct. The user may want no suffix for some

Re: [Jmol-developers] jmolApplet call appears to ignore my applet suffix?

2009-11-17 Thread Jonathan Gutow
I found the example that had triggered my memory. It is a different case. It will not be a problem. Jonathan On Nov 17, 2009, at 10:01 AM, Jonathan Gutow wrote: I haven't got time to dig for the example, but I believe I've seen being interpreted as null. If I finish my grading I will try

Re: [Jmol-developers] jmolApplet call appears to ignore my applet suffix?

2009-11-15 Thread Jonathan Gutow
Bob, I think you're correct. The user may want no suffix for some reason. If I understand fully the way Jmol.js reponds now this will be changing the behavior. I believe passing for namesuffix now appends an automatic index to the applet. I still think it would be the most

Re: [Jmol-developers] jmolApplet call appears to ignore my applet suffix?

2009-11-14 Thread Jonathan Gutow
it will, thus I think we should change the private code to fix this. Jonathan On Nov 13, 2009, at 9:34 PM, Robert Hanson wrote: Why use n=0? On Fri, Nov 13, 2009 at 5:09 PM, Jonathan Gutow gu...@uwosh.edu wrote: I'm looking for some ideas here. I have been working on some additional

Re: [Jmol-developers] jmolApplet call appears to ignore my applet suffix?

2009-11-14 Thread Jonathan Gutow
I vote for Bob as he is making other changes to Jmol.js at the moment. I'm still a little confused as my tests showed that null worked for both an undefined variable and str=. I only tested in Safari and Firefox. Maybe they're more forgiving. Jonthan On Nov 14, 2009, at 12:18 PM, Angel

[Jmol-developers] jmolApplet call appears to ignore my applet suffix?

2009-11-13 Thread Jonathan Gutow
I'm looking for some ideas here. I have been working on some additional javascript code that automatically limits the number of live jmol applets on a page to avoid memory problems. Here's my problem: 1) In a simple page that loads once, repeated javascript calls that replace an applet

Re: [Jmol-developers] jmolApplet call appears to ignore my applet suffix?

2009-11-13 Thread Jonathan Gutow
in Jmol.js. Jonathan On Nov 13, 2009, at 5:09 PM, Jonathan Gutow wrote: I'm looking for some ideas here. I have been working on some additional javascript code that automatically limits the number of live jmol applets on a page to avoid memory problems. Here's my problem: 1) In a simple page

Re: [Jmol-developers] inline clarification

2009-11-01 Thread Jonathan Gutow
Is there a reason you are not just generating a multiframe file of one of the formats Jmol reads. Then you can just use the standard Jmol load calls and not have to worry about inline strings. Are you trying to do the generation in javascript on the user's machine? Jonathan On Nov 1,

Re: [Jmol-developers] [ jmol-Bugs-2883616 ] GAMESS hssend optimization (with fix)

2009-10-21 Thread Jonathan Gutow
I may have a chance to look at this this weekend, if someone else cannot check it first. Off the top of my head this does sound like it should work, and I don't see how it would break other things. If you get to check this post to the list so that I won't duplicate effort. Jonathan On Oct

Re: [Jmol-developers] Did anyone already work out the code the Resolver should point to to open .jmol files?

2009-09-21 Thread Jonathan Gutow
to download these files for local viewing to pages made by webexport. Hmmm...some buttons and a table template first... Jonathan On Sep 21, 2009, at 8:56 AM, Robert Hanson wrote: That's fixed. trailing \n character. On Sun, Sep 20, 2009 at 9:45 AM, Jonathan Gutow gu...@uwosh.edu wrote: I

[Jmol-developers] Did anyone already work out the code the Resolver should point to to open .jmol files?

2009-09-20 Thread Jonathan Gutow
I think this question is primarily for Bob. At present if you try to load a file created using the write ZIP|ZIPALL command Jmol cannot read it (although it works well to unzip the file and load the .spt file). The Resolver pops this error at line 216, NOTE: file recognized as a script

[Jmol-developers] Any plans for Jmol presentations at Spring 2010 National ACS meeting?

2009-09-13 Thread Jonathan Gutow
Dear All, I know Bob Hanson is already planning for Jmol related workshops at the 2010 BCCE, but I was wondering if anybody has plans to present anything Jmol related at the Spring 2010 National ACS meeting in San Francisco? I'm planning to be there for other reasons, but could

Re: [Jmol-developers] compressed .jmol files and $SCRIPT_PATH$

2009-09-08 Thread Jonathan Gutow
Bob, Wow! I'll try to take a look in the next day or so. This sounds perfect and I agree that the $SCRIPT_PATH$ global will be very useful. Jonathan On Sep 8, 2009, at 7:04 AM, Robert Hanson wrote: Slight revision: 1) It's a ZIP file. You can name it anything you want using the

Re: [Jmol-developers] compressed .jmol files and $SCRIPT_PATH$

2009-09-08 Thread Jonathan Gutow
Angel, Thanks for worrying about this. Here are my thoughts. 1) I don't think this belongs in the pop-up menu. 2) I vote for a the pull-down menu File Save as... and a File Save. The second option would resave an opened compressed jmol file in its new state and would only be

Re: [Jmol-developers] compressed .jmol files and $SCRIPT_PATH$

2009-09-08 Thread Jonathan Gutow
a bug there, though... write ?.jmol does not work, and write test.jmol does not call up a dialog. Bob On Tue, Sep 8, 2009 at 11:41 AM, Jonathan Gutow gu...@uwosh.edu wrote: Angel, Thanks for worrying about this. Here are my thoughts. 1) I don't think this belongs in the pop

Re: [Jmol-developers] compressed .jmol files and $SCRIPT_PATH$

2009-09-08 Thread Jonathan Gutow
, Jonathan Gutow gu...@uwosh.edu wrote: Angel, Thanks for worrying about this. Here are my thoughts. 1) I don't think this belongs in the pop-up menu. 2) I vote for a the pull-down menu File Save as... and a File Save. The second option would resave an opened compressed jmol file

Re: [Jmol-developers] I think we can now easily make a compressed Jmol save file....

2009-09-07 Thread Jonathan Gutow
, Sep 4, 2009 at 8:18 AM, Jonathan Gutow gu...@uwosh.edu wrote: Dear All, Based on what Bob has done below for relative file paths I think we (Bob?) can now make a compressed jmol save file, which is something I was considering doing based on the jmolInstance used for web export

Re: [Jmol-developers] commit or patch?

2009-09-04 Thread Jonathan Gutow
Angel, Unless others can think of a reason, I'd suggest commit and we will test. However, note that Bob just did some changes to when the dialog is activated. Make sure to merge those changes in before you commit. Since we can monitor commits, we will have some idea of what

[Jmol-developers] I think we can now easily make a compressed Jmol save file....

2009-09-04 Thread Jonathan Gutow
Dear All, Based on what Bob has done below for relative file paths I think we (Bob?) can now make a compressed jmol save file, which is something I was considering doing based on the jmolInstance used for web export. Here's my idea: 1) Copy the data file, state script and any

Re: [Jmol-developers] BCCE workshops

2009-09-04 Thread Jonathan Gutow
Bob, I may be able to make this work. It will be in a new fiscal year so I can probably get travel funding. I'd be willing to help with either workshop. Is workshop 1 appropriate for the webexport function or do we want an even lower level workshop? I may also have to be

[Jmol-developers] Script editor seems to be working!!

2009-06-29 Thread Jonathan Gutow
Bob, dipole molecular now appears to be working properly except that it does not default to the stated 0.4 ang side offset. I'm not sure it should. Maybe that should be removed from the documentation? The script editor looks really good! Wow! I haven't had a lot of time

[Jmol-developers] A thought we might consider in our coding style from a VERY VERY good programmer...

2009-06-29 Thread Jonathan Gutow
The message below was sent by one of the programmers of my favorite data analysis package in answer to a question about strings in IGORs internal scripting language. The key point is made below the word Simplify. These guys maintain and debug in record time (typical turnaround on bug

<    1   2   3   >