Re: [Jmol-users] different RMSD value for positive and negative areas

2016-02-03 Thread Frieda Reichsman
Actually, hold that. Not sure of this result, let me do more testing first. May be a day or two. > On Feb 3, 2016, at 10:46 PM, Frieda Reichsman wrote: > > Hi Bob, > > I tried getting just the negative difference map using > > isosurface id ~m00 rmsd -2.5 within 2.5

Re: [Jmol-users] different RMSD value for positive and negative areas

2016-02-03 Thread Frieda Reichsman
ber indicates that only the positive part of the surface is desired. > (See also RMSD, below.) > > On Tue, Feb 2, 2016 at 4:45 PM, Frieda Reichsman <mailto:frieda...@mac.com>> wrote: > Hi Bob, > > Is it possible to obtain a difference density map (isosurface) at a differe

Re: [Jmol-users] Mouse-slabbing in JSmol on Mac

2016-02-02 Thread Frieda Reichsman
Thanks Otis and Angel, I’ll check out both of these options. Frieda > On Feb 1, 2016, at 2:16 PM, Otis Rothenberger wrote: > > Frieda, > > The drag motion that you want may be too complex for this suggestion, but > I’ll put it out there anyway. It’s a variation of Angel’s non-key-modifier >

[Jmol-users] different RMSD value for positive and negative areas

2016-02-02 Thread Frieda Reichsman
possible to make a map that is negative only? Thanks, Frieda // Frieda Reichsman, PhD Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com USA

[Jmol-users] Mouse-slabbing in JSmol on Mac

2016-01-31 Thread Frieda Reichsman
sing the mouse button first, then the Ctrl Shift keys, then drag, but this produces only rotation. Anyone know how to get this to work on Mac? Frieda ////////// Frieda Reichsman, PhD Molecules in Motion Interactive Molecular Structures http://www.mole

Re: [Jmol-users] Minset

2016-01-30 Thread Frieda Reichsman
Never mind, it’s working now! Thanks! > On Jan 30, 2016, at 9:51 AM, Frieda Reichsman wrote: > > Sorry, what I am saying is, this command had no effect on the surface display: > > isosurface MINSET 10 id ~m40 rmsd 2.0 sign red [x00dd00] within 2.5 {ret} > insideout

Re: [Jmol-users] isosurface mesh resolution question

2016-01-30 Thread Frieda Reichsman
id. The > RESOLUTION option is only for isosurfaces that are generated de novo by Jmol > -- vdw, sasurface, molecular, solvent. > > Bob > > > On Thu, Jan 28, 2016 at 8:39 PM, Frieda Reichsman <mailto:frieda...@mac.com>> wrote: > Hi Bob, > > Using the

Re: [Jmol-users] Minset

2016-01-30 Thread Frieda Reichsman
Sorry, what I am saying is, this command had no effect on the surface display: isosurface MINSET 10 id ~m40 rmsd 2.0 sign red [x00dd00] within 2.5 {ret} insideout "250u-2m-0.40.ccp4”; > On Jan 29, 2016, at 12:51 AM, Robert Hanson wrote: > > Yes. I just used this: > > isosurface minset 1000 "

[Jmol-users] isosurface mesh resolution question

2016-01-28 Thread Frieda Reichsman
lution 5.0” in a variety of different locations within the command, to no effect. Also - will red become the negative rmsd in the way I’ve set it up? Hard to tell from the documentation. Thanks, Frieda ////// Frieda Reichsman, PhD Molecules in Motion Interactive

[Jmol-users] Minset

2016-01-28 Thread Frieda Reichsman
rieda ////// Frieda Reichsman, PhD Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com USA 00 +1 413-320-7449 // -- Site24x7 APM Insight

[Jmol-users] 2006

2015-12-21 Thread Frieda Reichsman
t numerous scripts from 10 years ago are still robust. And thank you for your tireless work on J and JSmol! All the best, Frieda ////// Frieda Reichsman, PhD Molecules in Motion Interactive Molecular Structures http://www.moleculesinmoti

Re: [Jmol-users] echo image questions

2015-06-11 Thread Frieda Reichsman
Transparent png now displays correctly (without a black background) thank you! If the png has a black background, the background remains. So I take it J/Smol is no longer making first pixel’s color transparent - do I have that right? Also, the other bug remains in this version (jmol-14.2.14_201

Re: [Jmol-users] echo image questions

2015-06-10 Thread Frieda Reichsman
In fact the pngs are not displaying either in this new version. The old version I was using is 14.3.13_2015.03.16. > On Jun 10, 2015, at 5:18 PM, Frieda Reichsman <mailto:frieda...@mac.com>> wrote: > > Hi Bob, > > In this version, the jpg images I was using for the e

Re: [Jmol-users] echo image questions

2015-06-10 Thread Frieda Reichsman
Hi Bob, In this version, the jpg images I was using for the echo images are no longer displayed. I haven’t checked png fixes yet-- thought you’d want to know about the jpgs in any case. Frieda > On Jun 10, 2015, at 8:11 AM, Robert Hanson wrote: > > yes, sorry -- I just realized that it was

Re: [Jmol-users] echo image questions

2015-06-09 Thread Frieda Reichsman
Oh - I see now that you said that the applet worked with depth 0, not JSmol/HTML5. Sorry for the confusion; I have now confirmed your confirmation that “set echo depth 0" does not address the black background problem in JSmol. ;-) > On Jun 9, 2015, at 2:21 PM, Frieda Reichsma

Re: [Jmol-users] echo image questions

2015-06-09 Thread Frieda Reichsman
Angel, thanks for your response! And for confirming these reports. I hope you are well. Unfortunately, the trick you suggest below (setting the echo depth to zero) does not clear the black background for me - not sure why it would work in one circumstance (yours :) and not another. > On Jun

[Jmol-users] echo image questions

2015-06-08 Thread Frieda Reichsman
ackground color is white). Thanks, Frieda /////// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://www.molecu

Re: [Jmol-users] bug when coloring labels with set label offset 0 0

2015-03-17 Thread Frieda Reichsman
Thanks Bob, much appreciated. Angel - thanks also for your suggestion. It had been a while since I needed to color labels explicitly, and I couldn't recall the command correctly - so I went back to the Jmol interactive script documentation and found this html tag method. I couldn’t find the more

[Jmol-users] bug when coloring labels with set label offset 0 0

2015-03-16 Thread Frieda Reichsman
attaching a png that can be dropped into Jmol to show the offset issue. Note that the Cl atom’s label is well to the left of the atom. The label behaved correctly until the offset 0 0 command was issued. Jmol version: jmol-14.2.13_2015.03.13 Frieda ////

Re: [Jmol-users] failures with Chrome

2014-05-27 Thread Frieda Reichsman
Forgot to say, I did click the ‘show’ link, and I am in Chrome, Version 35.0.1916.114. On May 27, 2014, at 5:07 PM, Frieda Reichsman wrote: > Clicked several times. Saw the single carbon atom. Selected all text. Here’s > the file. > Frieda > > > > On May 27, 2014, at 5

Re: [Jmol-users] failures with Chrome

2014-05-27 Thread Frieda Reichsman
Clicked several times. Saw the single carbon atom. Selected all text. Here’s the file.Frieda JSmol is an HTML5/Java-switchable version of Jmol. For a zip file containing all the files in this directory, see http://chemapps.stolaf.edu/jmol/zip/Jmol.zip. This page demonstrates Jmol using HTML5, Ja

Re: [Jmol-users] an animation loop with pauses

2014-05-18 Thread Frieda Reichsman
t;anim frame [] > > to do that instead.. > > > > > On Sun, May 18, 2014 at 5:17 PM, Frieda Reichsman wrote: > Sorry, I’m not getting this. What I’m going for is that all frames of the > animation should be visible. There should be a delay such that frame 12 is > shown for 2

Re: [Jmol-users] an animation loop with pauses

2014-05-18 Thread Frieda Reichsman
shown… animation frame [12] frame * frame delay 2.0 Thanks, Frieda On May 18, 2014, at 6:08 PM, Frieda Reichsman wrote: > Aha, OK, makes sense. > > So if I want to pause only at frame 12, > animation frame [12] > > Why do you then say, > frame * > > Is that necess

Re: [Jmol-users] an animation loop with pauses

2014-05-18 Thread Frieda Reichsman
lay) as visible > > > On Sun, May 18, 2014 at 4:53 PM, Frieda Reichsman wrote: > > On May 18, 2014, at 5:52 PM, Robert Hanson wrote: > >> Set the desired set of frames for which you want to set the day as visible. > > I’m not following that sentence. Must be a ty

Re: [Jmol-users] an animation loop with pauses

2014-05-18 Thread Frieda Reichsman
l delay: > > frame delay 2.0 > > then run your animation. > > Sorry, somehow that did not get documented. > > Bob > > > > > > On Fri, May 16, 2014 at 5:26 PM, Frieda Reichsman wrote: > Hi all, > > I am using a series of models as an anima

Re: [Jmol-users] tying echoes to sets of frames

2014-05-17 Thread Frieda Reichsman
Thanks, Otis and Angel. Angel, you have hit the nail on the head with respect to my current needs, thanks. I will try it today. I had gotten confused by this, in the scripting doc: ID “xxx” | … the optional ID keyword introduces an echo ID that is in quotes... and somehow in my sleed-deprived

[Jmol-users] tying echoes to sets of frames

2014-05-16 Thread Frieda Reichsman
Hi Bob et al., I would like an echo to appear at the top of the frame during frames 1-10 of an animation, then a different echo to appear in the same spot for frames 15-25, and a third for frames 30-35. I’ve been looking at 'set echo' in the script doc, where I see: > Echo text can be associate

[Jmol-users] an animation loop with pauses

2014-05-16 Thread Frieda Reichsman
animation repeats (loops) at one or two different specific frames. I can think of some workarounds to make this happen, but I am wondering if there is a more direct ‘animi’ command that would work here. Thanks, Frieda /////// Frieda Reichsman Molecules

Re: [Jmol-users] echo to label rocketbarrel helix

2014-05-15 Thread Frieda Reichsman
alues >= 1000 are relative to original point. So you >> might want >> >> Set echo myecho @1 >> >> Set echo myecho depth 1020 >> >> 20% of depth in front of atom 1 >> >> Will get uploaded tomorrow. >> >> Sent from my stu

Re: [Jmol-users] moving an atom

2014-05-01 Thread Frieda Reichsman
A little more investigation paid off - I think this is it: set allowMoveAtoms FALSE Set this parameter TRUE to allow the moving of selected atoms (not just whole molecules) using ALT-LEFT drag and ALT-SHIFT-LEFT drag. On May 1, 2014, at 8:12 AM, Frieda Reichsman wrote: > Hi all, >

[Jmol-users] moving an atom

2014-05-01 Thread Frieda Reichsman
is there another way to grab the coordinates? Thanks, Frieda /// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://www.moleculesinmotion.com

Re: [Jmol-users] write (images or frames)

2014-04-22 Thread Frieda Reichsman
On Apr 21, 2014, at 6:11 PM, Robert Hanson wrote: > write @{'anim01/1_anim' + format("%02d",i) + '.png;’} > > > http://chemapps.stolaf.edu/jmol/docs/?ver=14.0&search=format#functionsx=fyfunctions > > about a page down in that list > Many thanks. Frieda

Re: [Jmol-users] Query

2014-04-21 Thread Frieda Reichsman
On Apr 21, 2014, at 4:05 PM, Brenton Horne wrote: > Oh and is it possible to hide everything (like the haem molecules, the > solvents, etc.) except the protein and the ligand? Like atm I'm working on > COX and NSAIDs binding, is it possible for me to get it such that I can see > just the prot

Re: [Jmol-users] Query

2014-04-21 Thread Frieda Reichsman
thers think. Frieda > > Thanks for your time, > Brenton > > > > On Tue, Apr 22, 2014 at 5:50 AM, Frieda Reichsman wrote: > On Apr 21, 2014, at 3:44 PM, Brenton Horne wrote: > >> Hi, >> >> I don't know where else to ask this question, but I

Re: [Jmol-users] Query

2014-04-21 Thread Frieda Reichsman
On Apr 21, 2014, at 3:44 PM, Brenton Horne wrote: > Hi, > > I don't know where else to ask this question, but I really want to know how I > can have the macromolecule displayed as ribbons only but the ligand(s) being > displayed in ball-and-stick format with their implicit hydrogens also > di

[Jmol-users] write (images or frames)

2014-04-21 Thread Frieda Reichsman
read, e.g., write @{'anim01/1_anim' + format("%02d",i) + '.png;’} Could you add that and/or enlighten me? Thanks, Frieda /////// Frieda Reichsman Molecules in Motion Interactive Molecular Structur

Re: [Jmol-users] I'm rusty, but script works in Jmol (signed) but not in JSMol

2014-04-21 Thread Frieda Reichsman
On Apr 21, 2014, at 1:14 PM, Robert Hanson wrote: > I don't see that exact compiler error when I run this in 14.0.13. What I see > is an execution error: > > script ERROR: bad argument count > line 1 command 1 of function testwrite: > script "rotate x 1; write file PNG anim01/1_a

Re: [Jmol-users] I'm rusty, but script works in Jmol (signed) but not in JSMol

2014-04-21 Thread Frieda Reichsman
+ i + "%; delay 1; refresh;" > } > script inline @x > set hermitelevel 4 > delay 0.1 > } > > Bob > > > > On Mon, Apr 21, 2014 at 9:42 AM, Frieda Reichsman wrote: > Hi Bob, > > The following works for “growing” spacefill w

Re: [Jmol-users] I'm rusty, but script works in Jmol (signed) but not in JSMol

2014-04-21 Thread Frieda Reichsman
tells me: script compiler ERROR: command expected >>>> for(var i=1 <<<< $ Sorry to ask more than one thing at a time, but since they both involve for loops I thought they might be related. On Apr 21, 2014, at 10:46 AM, Frieda Reichsman wrote: > Oh

Re: [Jmol-users] I'm rusty, but script works in Jmol (signed) but not in JSMol

2014-04-21 Thread Frieda Reichsman
Oh yeah— I’m using Jmol 14.0.13. On Apr 21, 2014, at 10:42 AM, Frieda Reichsman wrote: > Hi Bob, > > The following works for “growing” spacefill when I use the signed applet, but > not when I use JSMol: > > function off2cpk > delay 0.1 > set hermiteLevel 0 > >

[Jmol-users] I'm rusty, but script works in Jmol (signed) but not in JSMol

2014-04-21 Thread Frieda Reichsman
televel 4 delay 0.1 end function Do I need to be doing something differently here? Frieda /////// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://ww

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-20 Thread Frieda Reichsman
have stopped developing with > Jmol.js, and the JSmol "JavaScript Object" option is much better, even for > Java, just in terms of how it fits into web pages and how you put together > applets on the page. Not that you can't keep using Jmol.js > > Bob > >

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-20 Thread Frieda Reichsman
Thanks Angel, I had cleared browser cache and updated Java as well as restarting my machine. I had no idea that the Java cache was resistant to all of that... in fact, clearing the Java cache and browser cache again were necessary, and finally I can see my page in action. Whew! On Jun 20, 2013

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-20 Thread Frieda Reichsman
there. > > > On Tue, Jun 18, 2013 at 6:22 AM, Frieda Reichsman wrote: > In Jmol 13.1.16_a, "set cartoonladder true/false" is not recognized. Bug? > > > On Jun 17, 2013, at 10:00 AM, Robert Hanson wrote: > >> The only change in Jmol.js since 2011 wa

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-18 Thread Frieda Reichsman
t; > On Mon, Jun 17, 2013 at 8:28 AM, Frieda Reichsman wrote: > OK, thanks Bob. > > On Jun 17, 2013, at 9:15 AM, Robert Hanson wrote: > >> Oh, OK. I see that Jmol.js wasn't going into the zip file. See >> http://chemapps.stolaf.edu/jmol/Jmol.js >> >>

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-17 Thread Frieda Reichsman
OK, thanks Bob. On Jun 17, 2013, at 9:15 AM, Robert Hanson wrote: > Oh, OK. I see that Jmol.js wasn't going into the zip file. See > http://chemapps.stolaf.edu/jmol/Jmol.js > > > > > On Sun, Jun 16, 2013 at 9:58 PM, Frieda Reichsman wrote: > I'm not tryi

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-16 Thread Frieda Reichsman
You want > > http://chemapps.stolaf.edu/jmol/jsmol.zip > > > > > On Sun, Jun 16, 2013 at 7:37 PM, Frieda Reichsman wrote: > I'd be happy to try this out and report back, but neither of those files are > included in the downloaded folders, either. Where does one ge

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-16 Thread Frieda Reichsman
; complicated pages. Read the top comment in Jmol2.js. > > > Bob > > > > > On Sun, Jun 16, 2013 at 5:14 PM, Frieda Reichsman wrote: > Thanks Bob, I have downloaded 13.1.15, and 13.1.16_a, but I do not see the > Jmol.js file in these releases. Where do I find the Jmol

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-16 Thread Frieda Reichsman
3.0. Sorry for not > making that clear. > > Also, note that there are already some bug fixes for PyMOL PSE file reading > particularly. See http://chemapps.stolaf.edu/jmol/Jmol-13.zip for the latest. > > > On Sun, Jun 9, 2013 at 2:31 PM, Frieda Reichsman wrote: > &g

Re: [Jmol-users] Jmol/JSmol 13.1.15 and Jmol 13.0.15 released

2013-06-09 Thread Frieda Reichsman
On Apr 29, 2013, at 2:15 PM, Robert Hanson wrote: > > new feature: set cartoonLadder -- default TRUE (standard Jmol rendering of > nucleic acids), but when FALSE no bases, just "ladders", like PyMOL Hi Bob, I'm using the Jmol application, version 13.0.16, and finding that cartoonLadder is

Re: [Jmol-users] Give this a try...

2012-10-28 Thread Frieda Reichsman
This is just so lovely, Bob. Truly amazing. For me, the command line will not work at present. I get an "Error connecting to server" alert for the chemapps.stolaf.edu. Nonetheless, kudos for this great work! Frieda On Oct 25, 2012, at 5:45 PM, Robert Hanson wrote: > > > On Wed, Oct 24, 2

Re: [Jmol-users] label toggle (atomset)

2012-07-08 Thread Frieda Reichsman
Just now thought to try "labels hide" and "labels display" which works very nicely for my purposes. So no need to solve except for documentation purposes. On Jul 8, 2012, at 11:12 AM, Frieda Reichsman wrote: > Hi Bob et al., > > From the documentation, >

[Jmol-users] label toggle (atomset)

2012-07-08 Thread Frieda Reichsman
eries of commands then go to the command line and type label toggle (atomno=616) All the atoms of the structure get labeled "toggle (atomno=616)". Frieda ////// Frieda Reichsman, PhD Molecules in Motion Interactive Molecular Structures http://www.molecul

Re: [Jmol-users] yippee--charges

2012-05-12 Thread Frieda Reichsman
Congratulations, Bob! what a wonderful addition! Frieda On May 7, 2012, at 6:52 PM, Robert Hanson wrote: > Jmol 12.3.24 will calculate charges using the MMFF94 model. Thus, you will be > able to do this: > > load caffeine.xyz > calculate partialcharge > isosurface vdw map mep > > It was an int

Re: [Jmol-users] java error

2011-10-05 Thread Frieda Reichsman
On Oct 5, 2011, at 7:57 AM, Frieda Reichsman wrote: > is likely to work in most any context where this security error occurs. After sending this I realized that the message no longer contained the original error report so that the "this error" above may be quite unclear. The erro

Re: [Jmol-users] java error

2011-10-05 Thread Frieda Reichsman
he two sites that have my most extensive work are unavailable. Thanks, Frieda On Sep 16, 2011, at 7:10 AM, Frieda Reichsman wrote: > Great news that this works. > > Bob, it seems to me that the useCommandThread mechanism for setting up > threads somehow avoids the need for Java

Re: [Jmol-users] java error

2011-09-16 Thread Frieda Reichsman
Great news that this works. Bob, it seems to me that the useCommandThread mechanism for setting up threads somehow avoids the need for Java to do a reverse DNS lookup, which is the process that triggers the error. Is that right? Frieda On Sep 16, 2011, at 12:52 AM, Paul Pillot wrote: > We a

Re: [Jmol-users] java error

2011-09-15 Thread Frieda Reichsman
1.6.0_27 also breaks with this error, not very surprisingly. Frieda ////////// Frieda Reichsman, PhD Molecules in Motion Interactive Molecular Structures http://www.

Re: [Jmol-users] java error

2011-09-09 Thread Frieda Reichsman
host name somehow sees > the server call as to another host which is not allowed for the unsigned > applet. Angel, do you remember something about that? Really all these pages > should be using the signed applet, because users should have the ability to > save files. > > Bob >

Re: [Jmol-users] java error

2011-09-08 Thread Frieda Reichsman
> Editing and ensure content is compliant with Accessibility Checking. > http://p.sf.net/sfu/ephox-dev2dev___ > Jmol-users mail

Re: [Jmol-users] How to save a JMol script

2011-06-13 Thread Frieda Reichsman
Hi Reinhold, Select all, then drag and drop into a text document works for me. Frieda On Jun 9, 2011, at 6:11 AM, Reinhold Störmann wrote: > Having 3 different molecules in one JMol window, and after arranging > them interactively to give the best representation of what I want to > show, I stum

Re: [Jmol-users] Unable to make new releases on sourceforge

2011-02-02 Thread Frieda Reichsman
Yes, now 12.1.30 is available. Thanks, Frieda On Feb 2, 2011, at 7:52 AM, Robert Hanson wrote: Hmm, that does appear to be the case. Well, at least the files are there and updating is possible. 2011/2/2 Angel Herráez New downloads are available, but I still cannot browse the SVN Guess I'm

Re: [Jmol-users] Unable to make new releases on sourceforge

2011-02-01 Thread Frieda Reichsman
Hi Nico, Still no ability to get the files onto Sourceforge? Frieda On Jan 27, 2011, at 2:44 PM, Nicolas Vervelle wrote: On Thu, Jan 27, 2011 at 8:30 PM, Egon Willighagen > wrote: Hi Nico, On Thu, Jan 27, 2011 at 8:23 PM, Nicolas Vervelle wrote: > Since yesterday, I don't manage to ma

Re: [Jmol-users] anim and spin issue

2011-01-26 Thread Frieda Reichsman
ould show up at SourceForge soon. Bob On Wed, Jan 26, 2011 at 12:19 AM, Frieda Reichsman wrote: Hi All, I am seeing some strange behaviors with animating a 10-model pdb file when I turn on spin. At best, very jerky, then stops; at worst, strange distortion of molecule. I see that there was an iss

Re: [Jmol-users] anim and spin issue

2011-01-26 Thread Frieda Reichsman
Wow, that is scary... you did mean 12.0.29, in fact, that's what your email said. Sigh. Long day, sorry. Frieda On Jan 26, 2011, at 6:47 PM, Frieda Reichsman wrote: Hi Bob, 1. Thanks so much for your ever-fast response! 2. Did you by any chance mean 12.0.29? It looks like that was

Re: [Jmol-users] anim and spin issue

2011-01-26 Thread Frieda Reichsman
if what I did fixes your particular problem. I'm pretty sure it will. So that should show up at SourceForge soon. Bob On Wed, Jan 26, 2011 at 12:19 AM, Frieda Reichsman wrote: Hi All, I am seeing some strange behaviors with animating a 10-model pdb file when I turn on spin. At b

Re: [Jmol-users] anim and spin issue

2011-01-26 Thread Frieda Reichsman
Thanks Bob, sent this to you off-list - let me know if you need something else. Frieda On Jan 26, 2011, at 10:55 AM, Robert Hanson wrote: > Please use > > write "tobob.jmol" > > and send me that file. > > > On Wed, Jan 26, 2011 at 12:19 AM, Frieda Reichsman

Re: [Jmol-users] anim and spin issue

2011-01-26 Thread Frieda Reichsman
ideas what is going on here? Frieda On Jan 26, 2011, at 1:45 AM, Frieda Reichsman wrote: > Seems that reducing the hermite level to zero improves this > considerably, which makes sense. However it is still not a smooth > animation when spinning, as it is for example here: > http://pro

Re: [Jmol-users] anim and spin issue

2011-01-25 Thread Frieda Reichsman
:19 AM, Frieda Reichsman wrote: > Hi All, > > I am seeing some strange behaviors with animating a 10-model pdb file > when I turn on spin. At best, very jerky, then stops; at worst, > strange distortion of molecule. I see that there was an issue with > this in 2009 but it was f

[Jmol-users] anim and spin issue

2011-01-25 Thread Frieda Reichsman
this. It works fine in Proteopedia; they are using 11.8.24. I am seeing this issue in 12.0.27 and 12.0.RC7 on Mac OSX 10.6 in Safari. Frieda - Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium http://concord.org 25 Love Lane Concord, MA 01742 Office: 978-405-3228

Re: [Jmol-users] please test

2010-09-02 Thread Frieda Reichsman
I have selected the correct set of atoms prior to applying the surface. This is different from the previous bug - and worse, I'm afraid. I'll send the files to you offline. Frieda - Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium http://concord.org

Re: [Jmol-users] Jmol isosurface issue

2010-08-30 Thread Frieda Reichsman
l generally run at much higher default resolution. Bob On Sun, Aug 29, 2010 at 12:46 AM, Frieda Reichsman wrote: Hi, Does the display of an isosurface (the area it covers) vary depending on what is selected at the time you call the jvxl file? I don't recall this, but it is true i

Re: [Jmol-users] Version 12.08

2010-08-29 Thread Frieda Reichsman
d/finalsurface.jvxl" map property_x color translucent -1 colorscheme "user"; if I say "select protein" before it, the surface is truncated in several places if I say "select :b" the surface is fully intact. Let me know if you want the files... Frida > >

Re: [Jmol-users] Version 12.08

2010-08-28 Thread Frieda Reichsman
Hi, Does the display of an isosurface (the area it covers) vary depending on what is selected at the time you call the jvxl file? I don't recall this, but it is true in 12.0.8 and 12.0.10. I expect the surface in a jvxl file to be the same surface all the time... but perhaps somehow I hav

Re: [Jmol-users] Mac User Request and NIH site

2010-08-25 Thread Frieda Reichsman
Hi Otis, I'm on a MacBook Pro, 10.6.4, Safari 5.0.1. On Aug 25, 2010, at 1:21 AM, Otis Rothenberger wrote: > > 1) Load (could be a slow load) > http://chemagic.com/web_molecules/script_page_large.aspx Actually quite fast - seconds. > 2) Click The Molecule Editor link. > 3) In the command field

Re: [Jmol-users] thickness of drawn arrows

2010-08-15 Thread Frieda Reichsman
Yep, that's it! Thanks. Frieda On Aug 15, 2010, at 6:53 PM, Robert Hanson wrote: I think it's just draw arrow1 width 0.3 /* or whatever */ arrow ... On Sun, Aug 15, 2010 at 5:48 PM, Frieda Reichsman wrote: Hi Jmolers, I am drawing an arrow like so: draw arrow1 arrow (27:x.c

[Jmol-users] thickness of drawn arrows

2010-08-15 Thread Frieda Reichsman
les window", the commands produce the thicker lines seemingly automatically. So is this a bug? Thanks, Frieda - Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium http://concord.org 25 Love Lane Concord, MA 01742 Office: 978-405-3228 Mobile: 413-320-7449 Realizing

Re: [Jmol-users] within(sheet) broken in 12.0.2

2010-08-07 Thread Frieda Reichsman
Thank you Bob! And for the info on the anisou records as well. Frieda On Aug 7, 2010, at 1:21 PM, Robert Hanson wrote: thanks, Frieda. That will be fixed for 12.0.4 and 12.1.2 On Sat, Aug 7, 2010 at 8:40 AM, Frieda Reichsman wrote: Hi, I am finding in Jmol 12.0.2 that Select within

[Jmol-users] within(sheet) broken in 12.0.2

2010-08-07 Thread Frieda Reichsman
Hi, I am finding in Jmol 12.0.2 that Select within(helix) works fine, but select within(sheet) freezes Jmol entirely. Frieda - Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium http://concord.org 25 Love Lane Concord, MA 01742 Realizing the educational potential of

[Jmol-users] anisou records

2010-08-07 Thread Frieda Reichsman
rface rendering, or calculation of the charges therein? Thanks, Frieda ----- Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium http://concord.org 25 Love Lane Concord, MA 01742 Realizing the educational potential of techn

Re: [Jmol-users] Re : Re: multiple applets on the page

2010-04-01 Thread Frieda Reichsman
Thanks, Paul, but the synchronization of rotations is not appropriate for these structures. Frieda On Apr 1, 2010, at 2:00 AM, paul.pil...@ac-orleans-tours.fr wrote: > Try the sync script command (see domumentation) > Paul > > - Message d'origine ----- > De: Frie

Re: [Jmol-users] multiple applets on the page

2010-03-31 Thread Frieda Reichsman
bering Jmol uses), I am getting a Javascript alert that Jmol cannot find Applet0. This message appears only on the first time I click the button. Any ideas? Frieda On Mar 31, 2010, at 9:01 PM, Frieda Reichsman wrote: > Hi Angel, > > Thanks - I do want to affect both applets with a si

Re: [Jmol-users] multiple applets on the page

2010-03-31 Thread Frieda Reichsman
Hi Angel, Thanks - I do want to affect both applets with a single jmolScript call, but I cannot seem to get "all" to work. I am using Jmol 11.8.22. So, for example, this sends the script to the second applet on the page: one or all. > I'm assuming you use Jmol.js. > > jmolScript() takes as its

[Jmol-users] multiple applets on the page

2010-03-30 Thread Frieda Reichsman
Hi, can someone please remind me of how to tell a button to send its script to more than one Jmol applet, and/or to all Jmol applets on a page? I know this is documented somewhere... Thanks, Frieda - Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium http

Re: [Jmol-users] BUG moveto left/right etc.

2009-12-12 Thread Frieda Reichsman
I am seeing a similar bug in Jmol 11.8.11 and in Jmol 11.8.7, where the moveto commands result in a smooth movement to a seemingly final position, but then a small jump. In addition, it looks like there is a more serious bug in 11.8.11. In Jmol 11.8.7, a specific moveto command works as expe

Re: [Jmol-users] struggling with "define" in Jmol scripting

2009-07-08 Thread Frieda Reichsman
On Jun 30, 2009, at 6:47 PM, Dan Connolly wrote: > Now I wonder why the First Glance in Jmol scripts work. Hi Dan, Likely because FGiJ uses an old applet version, before the bug was introduced. Frieda - Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium h

Re: [Jmol-users] Jmol error in Firefox/Windows only

2009-06-15 Thread Frieda Reichsman
" flag off after it gets an update message. Reloading the browser seems to clear it, and it actually causes no problem with Jmol. Bob On Mon, Jun 15, 2009 at 6:38 AM, Frieda Reichsman wrote: Hi Eran and Eric, Do you remember this problem in Firefox/windows some time back? I just

Re: [Jmol-users] Jmol error in Firefox/Windows only

2009-06-15 Thread Frieda Reichsman
;t detect any other liveconnect calls before loading the PDB file and script from our server. As explanation for the difference between InternetExplorer and Firefox I found the suggestion that the more stringent default security policy of Firefox is responsible for it. Regards, Rolf Bes

Re: [Jmol-users] Jmol error in Firefox/Windows only

2009-06-15 Thread Frieda Reichsman
before loading the PDB file and script from our server. As explanation for the difference between InternetExplorer and Firefox I found the suggestion that the more stringent default security policy of Firefox is responsible for it. Regards, Rolf Best regards, Eran On Mon, Apr 21, 2008 at

Re: [Jmol-users] moveto transition data

2009-04-18 Thread Frieda Reichsman
Have you tried a screen capture program such as Jing, Captivate, SnapZ Pro, or Camtasia? Frieda On Apr 18, 2009, at 12:32 PM, Ralf Stephan wrote: > Hello, > let's say I have two orientations and want to write 50 > intermediate frames as image files: > > ---From: > moveto 0.0 { -142 866 480 107.

Re: [Jmol-users] carbohydrate structures

2009-04-18 Thread Frieda Reichsman
Beta 4. Link does not work; applet does not download. On the other hand, I have an old G4 iBook running 10.4.11 and Safari 3.2.1 on which the link works, albeit a little slow. Phil Bays On Apr 18, 2009, at 12:15 PM, Frieda Reichsman wrote: The page does not work on my machine running

Re: [Jmol-users] carbohydrate structures

2009-04-18 Thread Frieda Reichsman
The page does not work on my machine running Safari 3.2.1 - not a beta. The applet never finishes loading. Frieda On Apr 17, 2009, at 8:58 PM, Philip Bays wrote: This page works fine on the Mac using Firefox, but not using the latest beta of Safari. Is that a problem with java in this ver

[Jmol-users] designate temperature for a few atoms?

2008-12-08 Thread Frieda Reichsman
ture, then convert that to partial charge. Thanks, Frieda /////// Frieda Reichsman Molecules in Motion Interactive Molecular Structures http://www.moleculesin

Re: [Jmol-users] script to move echo

2008-11-21 Thread Frieda Reichsman
, add a print command within your loop: > > print "x=" + x + " y=" + y; > > Regards, > Rolf - Frieda Reichsman, PhD Senior Research Scientist The Concord Consortium http://concord.org 25 Love Lane Concord, MA 01742 --

Re: [Jmol-users] draw cylinder

2008-11-20 Thread Frieda Reichsman
Works - fantastic! Thanks. On Nov 20, 2008, at 11:21 AM, Rolf Huehne wrote: > Frieda Reichsman wrote: >> On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote: >> >>> I can see you are having great fun, Frieda, >> >> Yes, I sure am! Hope to have something to sho

Re: [Jmol-users] script to move echo

2008-11-20 Thread Frieda Reichsman
On Wed, Nov 19, 2008 at 6:26 PM, Frieda Reichsman wrote: > How would I then see the calculated values for x and y coordinates? > Jmol's output does not show the result of the calculations. On Nov 20, 2008, at 9:27 AM, Robert Hanson wrote: > function moveEcho > for ( var

[Jmol-users] draw cylinder

2008-11-20 Thread Frieda Reichsman
gen)} The result is a sphere. I realize I need to add a height parameter, of some kind, to get a cylinder but I can't seem to figure out which parameter it is in the documentation... Also, just curious, could I get the diameter to be in Angstroms instead of pixels? -Frieda - Frieda R

Re: [Jmol-users] script to move echo

2008-11-19 Thread Frieda Reichsman
end for end function On Wed, Nov 19, 2008 at 2:52 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote: Hi, I am trying to move an echo diagonally across the Jmol applet using a function (I have created and positioned the echo at (0, 450) before calling the function). I want the echo to sto

Re: [Jmol-users] script to move echo

2008-11-19 Thread Frieda Reichsman
cool- works great, thanks. On Nov 19, 2008, at 4:01 PM, Robert Hanson wrote: function moveEcho for ( var i=0; i<250; i = i + 2 ) set echo myecho @i @{450-i} delay 0.1 end for end function On Wed, Nov 19, 2008 at 2:52 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote

Re: [Jmol-users] scripting doc down

2008-11-19 Thread Frieda Reichsman
Thanks - sorry I missed that, by not looking at the Jena3D... subject emails! On Nov 19, 2008, at 2:09 PM, Rolf Huehne wrote: > Frieda Reichsman wrote: >> Hi, The scripting documentation is down, was there any mirror set up? > > Yes, I set up a mirror at the Jena3D server: >

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