[Jmol-developers] language localization fails

2014-07-01 Thread Angel Herráez
Hi Bob 14.2.2_2014.06.29 application, the interface opens in English instead of Spanish. The pop-up language shows Spanish ticked, when I click on that the interface changes to Spanish. So the switch works, it's just the initial display where the language is not applied correctly. I haven't

Re: [Jmol-developers] problems with custom popup and with language

2014-07-01 Thread Angel Herráez
Precedents, for reference: 29 Jan 2014, 11:55, Bob Hanson wrote: ___JmolVersion=14.1.8_dev_2014.01.29 bug fix: show MENU write MENU load MENU all broken in 12.2 [feature-requests:#213] custom pop-up menus Status: open Created: Tue Jan 28, 2014 11:08 AM UTC by Angel Herraez Last Updated:

[Jmol-developers] move breaks any further movement

2014-07-08 Thread Angel Herráez
Dear Bob, In 14.1.16 and 14.2.2, issuing a move command works, but any further moveto or zoom does nothing load $caffeine; moveto 1.0 { 916 -393 -75 38.89} 65.75 0.0 0.0 {-0.45 0.19 -0.065} 5.5 {0 0 0} 0 0 0 3 0 0; move 90 0 0 0 0 0 0 0 5 30; // 90 degrees around X moveto 1.0 { 916 -393 -75

Re: [Jmol-developers] move breaks any further movement

2014-07-09 Thread Angel Herráez
FYI, this was broken between 14.1.10 and 14.1.11 In 14.1.16 and 14.2.2, issuing a move command works, but any further moveto or zoom does nothing load $caffeine; moveto 1.0 { 916 -393 -75 38.89} 65.75 0.0 0.0 {-0.45 0.19 -0.065} 5.5 {0 0 0} 0 0 0 3 0 0; move 90 0 0 0 0 0 0 0 5 30; // 90

Re: [Jmol-developers] Jmol to Jsmol - issues

2014-07-25 Thread Angel Herráez
Hello Priya Nothing has changed? That's surprising I've visited your page and in the source code I can see nothing related to J(S)mol Can you please give a better pointer? -- Want fast and easy access to all the code

[Jmol-developers] Script error: missing ] after element list

2014-07-25 Thread Angel Herráez
Dear Bob, I am getting this error when running a page in Firefox 30 from local disk (file:// protocol), in an alert box wehn loading the page: [Java2Script] Script error: missing ] after element list ../../JSmol/j2s/core/corescript.z.js [Exception... Access to restricted URI denied

[Jmol-developers] still problmes with MOVETO after MOVE

2014-07-31 Thread Angel Herráez
Dear Bob, After the last update of Jmol, 29th July, I am still having trouble when my page runs a script with move command and later a moveto or zoomto. I've prepared a simplified test-demo page at http://biomodel.uah.es/en/model4/dna/_test_.htm That's using an older version of Jmol, but the

Re: [Jmol-developers] Jmol.resizeApplet

2014-09-06 Thread Angel Herráez
Bob, are both syntaxes supported? Jmol.resizeApplet(appletid, w, h) Jmol.resizeApplet(appletid, [w,h]) I only had the 2nd documented http://wiki.jmol.org/index.php/Jmol_JavaScript_Object/Functions#resizeApple t --

[Jmol-developers] chainCaseSensitive is forced true in 14.3.7

2014-09-09 Thread Angel Herráez
in 14.3.7_2014.09.08b chainCaseSensitive is being ignored and acts as true That is, load =1crn select *:a //0 atoms selected select *:A // 327 atoms selected irrespective of the setting of chainCaseSensitive --

Re: [Jmol-developers] chainCaseSensitive is forced true in 14.3.7

2014-09-09 Thread Angel Herráez
There is also a problem with numeric chain IDs: load =1LMB; select *:1; //selects chains 1 and 2 select *:2; // same atoms select *:3; //selects chains 3 and 4 select *:4; // same atoms I notice that hover display quotes around the ID, like [DG]37:2.O3' so I tried select *:1

[Jmol-developers] cartoon for Calpha-only is broken

2014-09-09 Thread Angel Herráez
in 14.3.7_2014.09.08b cartoon is broken for Calpha-only files It used to render cartoons, now it just renders trace load =1LMB cartoon only // ok for dna, not for protein -- Want excitement? Manually upgrade your

Re: [Jmol-developers] cartoon for Calpha-only is broken

2014-09-09 Thread Angel Herráez
sorry, that's not Calpha-only But the problem is present --now I don't know the reason -- Want excitement? Manually upgrade your production database. When you want reliability, choose Perforce. Perforce version

Re: [Jmol-developers] cartoon for Calpha-only is broken

2014-09-15 Thread Angel Herráez
9 Sep 2014, 2:58, Robert Hanson wrote: In addition to that, the chain read from then HELIX record was not stored the same way, so helixes and sheets were not read for any chain that was outside the range A - Z. Partly solved, but with another glitch now present: in 14.3.7_2014.09.08b

Re: [Jmol-developers] chainCaseSensitive is forced true in 14.3.7

2014-09-17 Thread Angel Herráez
Bob, that sounds fully reasonable to me. The way I see it, old PDB files used to have just uppercase chain IDs and in many old scripts we just got used to use lowercase. When some Upper+Lowercase PDB files started, set chainCaseSensitive appeared so the user could cater for those and still the

Re: [Jmol-developers] JSmol as network viewer

2014-10-07 Thread Angel Herráez
Hi Rolf This is interesting but not what I can really discuss about, but I'd contribute one or two hints: One really nice thing (I've seen it in other tree viewers) would be the ability for the user to pull a node and have the whole thing rearrange dynamically. That's a force field and Jmol

[Jmol-developers] setAppletCss

2014-12-06 Thread Angel Herráez
It seems that setAppletCss() is not working, tested in JSmol 14.3.10 Case example: the button has red border, but the JSmol object has not: head style type=text/css .grayBox { border:1px solid red; } /style /head body script type=text/javascript Jmol.setAppletCss('grayBox');

Re: [Jmol-developers] list bounces

2015-01-23 Thread Angel Herráez
El 23 Jan 2015 a las 7:02, Robert Hanson escribió: Who is handling these? Anyone? jmol-users-boun...@lists.sourceforge.net I've done it a couple of times, but in others when I logged in, the problem had already been taken care of (Nico, maybe?) On the other hand, I suspect I have admin access

[Jmol-developers] rotate selected @variable fails in recent versions

2015-02-13 Thread Angel Herráez
I am seeing a problem in using COMPARE() and ROTATE SELECTED with only recent versions: My script is of the type load a.pdb // 10 frames load append b.pdb // single frame select protein; trace only; color trace gray; rotMx = compare({2.1 alpha}, {1.10 alpha}); show rotMx; select 2.1; color

Re: [Jmol-developers] Loop speed optimization potential

2015-04-03 Thread Angel Herráez
Hi Rolf I was about to suggest what Bob is putting forward: if Javascript is faster, you might take part of the code out from JmolScript into JavaScript. I believe he has demo'ed how. Another idea: I found that in Javascript there is much improvement in loops when they are decrementing

Re: [Jmol-developers] Changing Console Location and Adding a New Menu

2015-06-23 Thread Angel Herráez
It seems that the console div is created when either the console command is executed or the popup menu option is picked. It is appended after the BODY tag, with this content: div id=jmolApplet0_console class=jmolConsole style=display: block; background-color: yellow; width: 600px; height:

Re: [Jmol-developers] Changing Console Location and Adding a New Menu

2015-06-23 Thread Angel Herráez
Wow, that's very helpful, thank you! So I assume if you can create a permanent console in Jsmol, it's possible in Jmol as well. Java is a different business, the console IS a java window so you cannot fix it in the page. Example test: http://biomodel.uah.es/JSmol/test_console.htm?_USE=JAVA

Re: [Jmol-developers] Bug Found

2015-06-19 Thread Angel Herráez
Hi Sam What you describe is very uncommon. Please, describe the procedure you have used to load the files. example: load files =4KKS =1PD6 Hey! I see now! The particular 1PD6.pdb is a structure resolved by NMR as so it contains 28 different structures (conformations) -- taht's the reason

Re: [Jmol-developers] Displaying Multiple Structures and Manipulating Coordinates

2015-06-18 Thread Angel Herráez
Hello Sam, and welcome (This rather belongs into jmol-users list) I'm emailing to ask a few questions about JMol. From what I've found on your emailing archives, it seems like it is possible to load multiple structures at once, but how exactly would one do that using the frame

[Jmol-developers] DOCUMENTATION AnimFrameCallback

2015-06-17 Thread Angel Herráez
Dear Bob, http://chemapps.stolaf.edu/jmol/docs/#setcallback set AnimFrameCallback says 9 parameters are returned. I only see 8; I think that maybe isAnimationRunning and animationDirection are merged into one? 14.2.14_2015.06.11 Regards, Angel

[Jmol-developers] ligand contacts are broken in PDB

2015-06-17 Thread Angel Herráez
Dear Bob, I thought you'd like to know that the ligand contacts view, View Pocket in Jmol in the PDB website seem to be broken. When I click on the link, nothing happens. Maybe a consequence of their updates in viewers. (I've tried to reproduce that nice display manually via the console, and

Re: [Jmol-developers] xml files?

2015-07-01 Thread Angel Herráez
I am trying to convert the Jmol source code to JSmol using Java2Script. I've made some changes to it and I want to know how they affect JSmol. I got the code from here: http://jmol.sourceforge.net/#Obtain%20Jmol Ah, ok That's a purely developer-programmer issue, then. It's clear now. I

Re: [Jmol-developers] xml files?

2015-07-01 Thread Angel Herráez
Java2Script for it to work, what's the scoop on that? This is confusing. Do you want to convert Jmol source code? Or Jmol commands / scripts? These need no conversion, as they work equally in JSmol. Please, clarify what your Jmol code is about · Dr. Angel Herráez Biochemistry and Molecular

[Jmol-developers] partially selected state in checkbox groups

2015-11-13 Thread Angel Herráez
Dear Bob I've being working on checkbox groups, to implement the display of partially selected state --which is a supported feature in html5. https://sourceforge.net/p/jmol/feature-requests/228/ Can you consider this for inclusion in next release? I don't know where that should be located in

Re: [Jmol-developers] partially selected state in checkbox groups

2015-11-13 Thread Angel Herráez
Yes, it's working through all levels (tested with 3, see http://biomodel.uah.es/JSmol/test_cbGroup.htm On 13 Nov 2015 at 16:25, Robert Hanson wrote: > > Did you get the sub-group business working? > > On Fri, Nov 13, 2015 at 1:46 PM, Angel Herráez < angel.herr...@uah.es> wro

Re: [Jmol-developers] How to display smoothly varying XYZ geometries in Jmol?

2015-07-11 Thread Angel Herráez
Hello Krishna, and welcome to Jmol community There are probably several ways you can try for your purposes (although I am not sure to closely understand your setup). Here are some tips: 1. Do not use zap, as it clears one model before starting to load the next. Maybe just load file1.xyz;

[Jmol-developers] update on Export To Web

2015-12-20 Thread Angel Herráez
Dear developers, in particular Bob and Jonathan, Over the last weeks I was teaching a course where whe learned to produce webpages from Jmol Export to Web. As a consequence, I am starting some revision of the page code generated, to be more HTML5-compliant and cleaner in terms of tags (e.g.

Re: [Jmol-developers] Reloading current structure fails

2016-06-03 Thread Angel Herráez
Ok, Abel So you are not loading a mol2 file, you are loading data. Reloading of data might not be possible, or may need a different syntax. More investigation is needed on this, I cannoy say right now. What happens if you copy that data into a text file and load it into Jmol? Bob will know,

Re: [Jmol-developers] myJmol as variable in Jmol.script

2016-06-03 Thread Angel Herráez
Hi Klaus Go to http://chemapps.stolaf.edu/jmol/docs/ and search for "rotationRadius" You will see there is "set rotationRadius" therefore you can try show rotationRadius and it works! Examples of use: show rotationRadius // rotationRadius = 20.94923 rr = rotationRadius; print rr; //

Re: [Jmol-developers] Reloading current structure fails

2016-06-03 Thread Angel Herráez
The documentation under "data" says http://chemapps.stolaf.edu/jmol/docs/#data Using load data instead of just data you can load model data with all of the loading options of the standard LOAD command. Also, it says that you should probably use model as part of your data label; this may be the

Re: [Jmol-developers] Reloading current structure fails

2016-06-03 Thread Angel Herráez
Hello Abel We need to narrow the problem I've just tested with Jmol 14.6.0_2016.05.24, with a pdb file, a mol file and a mol2 file, and "load" works fine. e.g. load =1crn; load ""; load $caffeine; load ""; load "https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol-datafiles/mol2/csc

[Jmol-developers] load models {0 0 1} is broken in 14.6.0 seires

2016-06-22 Thread Angel Herráez
load models {0 0 1} filename  is broken in all 14.6.0 releases; it complains the closing brace was not expected We are trying to fix a problem in Proteopedia (Jmol 14.4.1) with rendering of beta strands when the file does not contain SHEET records(note*). I realized that bug is fixed

Re: [Jmol-developers] problem parsing DNA from assembly mmCIF (PDBe)

2016-01-28 Thread Angel Herráez
Thanks, Bob As far as I've seen, for whatever reason the EBI PDBe people are doing changes in the CIF format of those files; in several respects they do not match their regular CIF files. They remove some fields and others change names. I talked to them and basically they say that's how it's

[Jmol-developers] problem parsing DNA from assembly mmCIF (PDBe)

2016-01-28 Thread Angel Herráez
We are starting to work on reading mmCIF files from PDBe, for "assemblies". This means the actual biological unit of the molecule, be it monomer, dimer, tetramer, etc -- manually checked since there are often several automatically prepared biological units in PDB Apparently EBI has been

Re: [Jmol-developers] "nihResolverFormat" cannot be set

2016-04-12 Thread Angel Herráez
It seems this previous post (4th April) went unnoticed > Bob, > > This parameter can be shown but not set: > > $ print _versionDate > 14.4.4_2016.03.29 2016-03-29 22:33 > $ show nihResolverFormat > nihResolverFormat = "http://cactus.nci.nih.gov/chemical/structure/%FILE; > $ set

[Jmol-developers] "nihResolverFormat" cannot be set

2016-04-04 Thread Angel Herráez
Bob, This parameter can be shown but not set: $ print _versionDate 14.4.4_2016.03.29 2016-03-29 22:33 $ show nihResolverFormat nihResolverFormat = "http://cactus.nci.nih.gov/chemical/structure/%FILE; $ set nihResolverFormat = "https://cactus.nci.nih.gov/chemical/structure/%FILE; ERROR en

Re: [Jmol-developers] commit with localization files

2016-05-19 Thread Angel Herráez
I just noticed in my local build that Russian (the latest added language) is not available in the pop-up menu. It appears there, though, after I enter this in the console: set language ru and it stays in the menu upon more language changes So I guess there is something that must be changed

Re: [Jmol-developers] commit with localization files

2016-05-19 Thread Angel Herráez
Forget that last one -- I found where the language must be added, src\org\jmol\i18n\Language.java I am adding Russian since it is over 95% translated -- Mobile security can be enabling, not merely restricting. Employees

Re: [Jmol-developers] update on Export To Web

2016-05-19 Thread Angel Herráez
(Just for the record and to finish this thread) Those changes in the Export to Web interface and the templates it uses for produced pages were finally committed to the trunk a few days ago. They are now used in Jmol 14.6.0 > > As a consequence, I am starting some revision of the page code

Re: [Jmol-developers] myJmol as variable in Jmol.script

2016-05-09 Thread Angel Herráez
Hello Klaus I think that it should be possible to do what you want without using eval(), which is usually not recommended by javascript gurus. The variable is indeed an object and not a string, but that is what Jmol expects. There may be a problem when the variable has not been defined

[Jmol-developers] commits r21103-05

2016-05-15 Thread Angel Herráez
Ok, those were my first commits from within Eclipse, so it took me a few trials and errors. I believe all is well. That was an update to the Export to Web interface, to better match descriptions for JSmol. -- Mobile

Re: [Jmol-developers] JAVA applet in WebPages

2016-05-04 Thread Angel Herráez
Hello Klaus Yes, the files are now different since JSmol. It is recommended that you change to the new JSmol Object syntax (see the Wiki for guidance) Otherwise, you could possibly still run it the old way. The Java applet files are inside the "java" folder which is inside the "jsmol.zip"

[Jmol-developers] "color darkgrey" is rejected

2016-09-02 Thread Angel Herráez
Bob, I know you worked on this recently. I am testing this on "14.6.2_2016.08.28 2016-08-28 07:48" color gray color grey color lightgray color lightgrey color darkgray // all ok up to here color darkgrey // script ERROR: a color or palette name (Jmol, Rasmol) is required

[Jmol-developers] (bug) set measurement in angstroms

2016-10-08 Thread Angel Herráez
set measurements 0.25 (any width in angstroms) is failing in versions below -- it used to work as expected, giving a not s thick cylinder 14.6.4_2016.10.02 14.6.2_2016.08.28 14.7.0_2016.06.27 14.6.0_2016.06.22 used at Proteopedia --- El software de antivirus Avast ha analizado este

[Jmol-developers] rendeirng problems with JSmol popup menu

2016-09-15 Thread Angel Herráez
Dear Bob, I have noticed two issues with the rendering of the pop-up menu in JSmol-html5 1. The language submenu is way too long, and may become taller than the screen, so in some page designs the lower half of the languages may be unreachable. 2. The names of some languages display

Re: [Jmol-developers] cannot write menu to file in 14.6.2

2016-09-17 Thread Angel Herráez
/jmol/jsmol/jsmol/htm On Sat, Sep 17, 2016 at 10:29 AM, Angel Herráez <angel.herr...@uah.es> wrote: Ok, thanks I have later been able to do it from Java applet - so it may be that On 17 Sep 2016 at 9:53, Robert Hanson wrote: I don't think write menu was implemented in

[Jmol-developers] cannot write menu to file in 14.6.2

2016-09-17 Thread Angel Herráez
Is this a bug? On https://chemapps.stolaf.edu/jmol/jsmol/jsmol.htm in the console: " write menu ? " gives this error after requesting the file name: ERROR en guión: TypeError: er.printStackTrace is not a function

Re: [Jmol-developers] rendeirng problems with JSmol popup menu

2016-09-16 Thread Angel Herráez
Fine, Bob The funny thing was that the first string (language name translated to current name) was correct, the second was wrong (language name in the original language). If you siwtch to Russian, you can see in the same line one correct, one wrong. So I understand this is fixed for next

Re: [Jmol-developers] rendeirng problems with JSmol popup menu

2016-09-16 Thread Angel Herráez
> The way too long problem is generally solved by dragging the menu higher on the screen. I know. But still sometimes it's higher than the screen. In many pages of mine the JSmol panel is 100% height, locked and cannot be scrolled down (overflow:none), so it's actually impossible to reach the

Re: [Jmol-developers] cannot write menu to file in 14.6.2

2016-09-17 Thread Angel Herráez
Ok, thanks I have later been able to do it from Java applet - so it may be that On 17 Sep 2016 at 9:53, Robert Hanson wrote: I don't think write menu was implemented in JSmol. Will take a look. --

Re: [Jmol-developers] rendeirng problems with JSmol popup menu

2016-09-16 Thread Angel Herráez
I like CSS solutions; they are very clean and you do not mess up with the js code. > something like "menus that do not contain any menus" --- li with no > containing ul --- I think that can be done in jQuery. Can it be done in CSS? Not actually straightforward, since you cannot apply css to

Re: [Jmol-developers] Fwd: [sage-cell] Re: Encoding problems for jsmol context menu

2016-11-09 Thread Angel Herráez
Hi Jonathan I've seen this kind of a problem occasionally (my system is configured for Spanish so the JSmol popup menu opens in Spanish, and has accented characters), but have not been able to track it down. I think it may be a bad combination of charsets in the several files involved. I

Re: [Jmol-developers] export to IDTF is brokwn

2016-10-18 Thread Angel Herráez
> thank you. fixed. Are people still using IDTF? Yes, hardly anyone, given the amount of information that can be found online. Still, there is some life -- see [1] But I am picking again the idea of producing PDFs with 3D models, and IDTF -> U3D is the only route. I just found that Power PDF

[Jmol-developers] export to IDTF is brokwn

2016-10-17 Thread Angel Herráez
Dear Bob, load $aspartate; write IDTF Asp.idtf does nothing, reports nothing Jmol 14.6.4, 2016-10-02 application --- El software de antivirus Avast ha analizado este correo electrónico en busca de virus. https://www.avast.com/antivirus

Re: [Jmol-developers] scripts persisting after quit or exit

2017-04-11 Thread Angel Herráez
Hi Jeff That's a little strange. "exit" should do what you wish, at least according to the documentation (I have no direct experience) I suggest that you try this: add !exit as the first line of your script files or the first command of your inline scripts that are callled from buttons.

Re: [Jmol-developers] scripts persisting after quit or exit

2017-04-15 Thread Angel Herráez
Hi Jeff I've done a little testing. It seems that the problem is in the "move" commands, that cannot be interrupted. I found about "set waitForMoveTo" and "moveTo stop", so this seems to work: 1. Edit you spt files to change the move commands to equivalent moveTo commands. // move 0 0 0 80 0

Re: [Jmol-developers] scripts persisting after quit or exit

2017-04-17 Thread Angel Herráez
Hi Jeff Glad you are finding a solution. The lack of working of "!exit" straight away is disturbing. "move" is considered an obsolete command and that may be the reason there is no method to interrupt it, but I agree that some things are not easy to reproduce with other commands, as you

Re: [Jmol-developers] de.po 404 error

2017-07-25 Thread Angel Herráez
Hello Klaus 1. Yes, the location of the language files cannot be specified. As far as I remember, it always looks for them in a 'idioma' folder which is a sibling of the 'java' folder. I'm not sure what happens when you don't specify the java folder 2. Some javascript error loading the

Re: [Jmol-developers] de.po 404 error

2017-07-25 Thread Angel Herráez
On the other hand, Why http:/_ ? That is not correct You need either two slashes (and then it must be an absolute server url) or no http (relative url) > is a complete unreasonable path.  It should be: > http:/_INCLUDE/JSMOL/idioma/de.po that is not correct. You need

[Jmol-developers] some wrong characters in localization of popup menu

2017-06-28 Thread Angel Herráez
Dear Bob, I have noticed that some characters do not display properly in the pop-up menu, Languages submenu in JSmol-HTML5 Checked in JSmol 14.6.4 and 14.9.1 in two different pages, see snapshot https://ibb.co/hpdWck Many foreign characters display well, but not those few in Russian, Chinese

[Jmol-developers] set antialiasdisplay needs a click to aply changes

2017-06-19 Thread Angel Herráez
Dear Bob, We are finding a strange behaviour in JSmol-html5 within Proteopedia: changing antialiasDisplay does not display any effect until you click on the JSmol canvas. Test case: go to http://proteopedia.org/wiki/index.php/1a2m open the JSmol console and type zoom 300 set antialiasDisplay

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