Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
Thanks Jeff, I don't get it. I'm consistently getting 40 seconds on Safari (6.0.2) Mac 10.7.5. I wonder if I have a file corrupted in cache. Wait... I have a little portable Mac Air. It's about 15 seconds at ISU and 3 seconds for CheMagic. Another thing is that the original page load is REALL

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
Bob, I rebooted my Mac and Fired up my Windows computer. Using my authentic 1998 Cast Holiday Celebration Mickey Mouse watch: 2-butanol second mep load MAC Safari Chrome FF ISU 40 seconds 2-butanol second mep load Windows FF ISU 15 seconds 2-butanol second mep load MAC Safari Chrome FF - 3 sec

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Jeff Hansen
I didn't time it, but both sites similar for me and around 10 seconds. Latest Mountain Lion and Safari 6.0.2. *** Jeff Hansen Department of Chemistry and Biochemistry DePauw University 602 S. College Ave. Greencastle, IN 46135 jhan...@depauw.edu

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
Bob, Maybe it's the fact that I'm on a Mac. For 2-butanol, I get ~30 seconds (~3 on the chemagic server with 13.1.11) on Safari. If I go to Firefox, I think its slightly faster, but I'm not sure. I get a stalled script warning. Mac issue? If there are other Mac users, would you try: http://che

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Robert Hanson
I'm getting 10 seconds to mep with no cached files; 5 seconds on the second page load. Probably aren't going to get better than that. (Firefox) about 20 seconds in Opera, about 15 seconds in Chime. Page is not working in MSIE due to some sort of problem with the canvas. On Tue, Jan 15, 2013 at 6:

Re: [Jmol-users] No "select segid" command ?

2013-01-15 Thread Robert Hanson
It is odd that they would remove that. I wonder why? -- Master Java SE, Java EE, Eclipse, Spring, Hibernate, JavaScript, jQuery and much more. Keep your Java skills current with LearnJavaNow - 200+ hours of step-by-step vid

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
Bob, The ISU server is still really slow, including the original page load. I thought that was simply cache, so I didn't mention it before. Now I see that page load is very slow also even after the first load put's files in cache: http://chemistry.illinoisstate.edu/osrothen/modelkit/ Otis --

Re: [Jmol-users] How to float Jmol right in IE9?

2013-01-15 Thread Robert Hanson
On Tue, Jan 15, 2013 at 6:24 PM, Eric Martz wrote: > > Any suggestions? > > Now that you have Jmol.js working, go straight to JmolJSO, (with files at http://chemapps.stolaf.edu/jmol/jsmol.zip). Then you can experiment with both Jmol/Java and JSmol. You will then be able to use all the aspects of j

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Robert Hanson
one thing is that I left a debugging line in that. Might be that. On Tue, Jan 15, 2013 at 6:02 PM, Robert Hanson wrote: > I made one significant change last night, making all numbers in Jmol > doubles instead of floats. Can you test this on the same server with > http://chemapps.stolaf.edu/jmol

[Jmol-users] How to float Jmol right in IE9?

2013-01-15 Thread Eric Martz
I'd appreciate advice on how to make Jmol float right (align at the right side of the browser window) in Internet Explorer 9 (IE9). This would be very helpful in FirstGlance in Jmol. The public/released version of FirstGlance does not work in current IE9/Java, but it works in an early version o

Re: [Jmol-users] JSmol version issue

2013-01-15 Thread Robert Hanson
I made one significant change last night, making all numbers in Jmol doubles instead of floats. Can you test this on the same server with http://chemapps.stolaf.edu/jmol/jsmol.zip? On Tue, Jan 15, 2013 at 3:26 PM, Otis Rothenberger wrote: > Bob, > > I'm noticing a power of 10 time difference in

Re: [Jmol-users] Future of the Jmol applet == JSmol

2013-01-15 Thread Robert Hanson
On Tue, Jan 15, 2013 at 2:25 PM, Kevin Theisen wrote: > Bob, > > To answer your questions: > > This is really an argument of semantics, with the ChemDoodle Web > Components, we would do something like the following. > > var selected = myCanvas.select(10, 20); > myCanvas.center(selected); > myCanv

Re: [Jmol-users] No "select segid" command ?

2013-01-15 Thread Angel Herráez
Hi So this is a question of file format. PDB file format specification has not any hint of columns 72-75 or the segID field, either in the current Version 3.3: July, 2011 / Nov. 21, 2012 http://www.wwpdb.org/documentation/format33/sect9.html#ATOM or in the oldest referenced in wwPDB, Version 2.

Re: [Jmol-users] No "select segid" command ?

2013-01-15 Thread Angelo Rossi
Dear Angel: Thanks for all your help. If one does a search on "pdb format segid" there will be hundreds of hits. Here is one: http://bmerc-www.bu.edu/needle-doc/latest/atom-format.html Admittedly, it is older but does mention a field for* segid*. The most current pdb format description does n

[Jmol-users] JSmol version issue

2013-01-15 Thread Otis Rothenberger
Bob, I'm noticing a power of 10 time difference in JSmol displaying MEP surfaces on two different servers. The ISU server has the most recent version of JSmol - 13.1.12_dev. The chemagic sever has an older version - 13.1.11_dev. http://chemagic.com/modelkit/ http://chemistry.illinoisstate.edu/

Re: [Jmol-users] Future of the Jmol applet == JSmol

2013-01-15 Thread Kevin Theisen
Bob, To answer your questions: This is really an argument of semantics, with the ChemDoodle Web Components, we would do something like the following. var selected = myCanvas.select(10, 20); myCanvas.center(selected); myCanvas.repaint(); Instead of using Jmol script and the Jmol compiler, it wo

Re: [Jmol-users] No "select segid" command ?

2013-01-15 Thread Angel Herráez
Hello again I suspect this is an issue of different terminology, but the functionality you ask for is likely there. Some pointers: http://chemapps.stolaf.edu/jmol/docs/#atomexpressionsfunctions see WITHIN SEQUENCE e.g. select within("PGATG",*) //would select all atoms in that peptide sequence

Re: [Jmol-users] prompt command

2013-01-15 Thread Robert Hanson
use \n to indicate a new line. On Tue, Jan 15, 2013 at 11:49 AM, Pascal Auffinger < p.auffin...@ibmc-cnrs.unistra.fr> wrote: > Hi, > > Is it possible to display a text in the prompt box in two lines instead of > a single long line. > > Best, > > Pascal > > > - > Pascal Auffinger > IBMC/CNRS

[Jmol-users] prompt command

2013-01-15 Thread Pascal Auffinger
Hi, Is it possible to display a text in the prompt box in two lines instead of a single long line. Best, Pascal - Pascal Auffinger IBMC/CNRS 15 rue René Descartes 67084 Strasbourg Cedex p.auffin...@ibmc-cnrs.unistra.fr - --

Re: [Jmol-users] No "select segid" command ?

2013-01-15 Thread Angel Herráez
Hello, Angelo! Angel here ;-) I don't know what 'segid' or 'segment proa' mean, but... in Jmol you can select by residue number e.g. select 14-19 select 14,16,18,45 or by sequence (check the scripting doc) Maybe that helps you out. > As I said earlier, I am a Jmol user, and I am no

[Jmol-users] No "select segid" command ?

2013-01-15 Thread Angelo Rossi
Hello: I am an avid user of Jmol. It is now installed at NERSC (www.nersc.gov) by my request so that I could track simulations in real time. My students use it all the time. My question is probably based on my missing something fundamental about the Jmol software strategy, but I would like to p

Re: [Jmol-users] JSmol speed varies widely with browser

2013-01-15 Thread Robert Hanson
Thanks for this. I believe the Opera problem is fixed. At least, Opera 12.2 is reading http://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm just fine for me on Windows. For performance, maybe Eric can set us up some benchmark pages. Performance will vary by canvas size, and it is important to indicate

Re: [Jmol-users] JSmol speed varies widely with browser

2013-01-15 Thread Angel Herráez
Dear Eric, glad to hear from you > In Windows 7, I find huge speed differences between browsers for > JSmol. Sorry if this has already been reported. I am also seeing this, although I haven't done a systematic analysis. I understand all comes down to the Javascript engine or implementation of