Re: [Jmol-users] can JSMOL be used into the Joomla CMS?

2014-03-13 Thread Pierluigi Quagliotto
Dear Bob, Many thanks for your reply! I will try immediately and I will let you knows s soon as possible. Yes, I am trying it locally, with Firefox on a CentOS Linux 6.5 driven virtual machine, since this is the operating system that is used on my University cloud to host small servers, so I

Re: [Jmol-users] Issues with formalCharge in 14.0.11

2014-03-13 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/zip/jmol-14.1.12_2014.03.13.zip ___JmolVersion="14.1.12_2014.03.13" bug fix: spacefill ionic not working bug fix: set cameraDepth disabled On Thu, Mar 13, 2014 at 9:52 PM, Robert Hanson wrote: > sure enough. "ionic" has always been an odd term -- it really me

Re: [Jmol-users] Issues with formalCharge in 14.0.11

2014-03-13 Thread Robert Hanson
sure enough. "ionic" has always been an odd term -- it really means "bonding" in Jmol -- and I switched the default name for "ionic" to be "bondingRadius" without realizing that the actual term "ionic" served another purpose. That is fixed. I should have a file for you Friday morning. Bob On T

[Jmol-users] Issues with formalCharge in 14.0.11

2014-03-13 Thread Flick Coleman
FormalCharge seems to be no longer affecting atom radius. With the previous version a statement as jmolButton("load molecules/nacl333.mol; set formalCharge (Na) 1; set formalCharge (Cl) -1;spacefill ionic 105%; background [xEE]", "NaCl") gave a very reasonable structure with Cl- larger than Na

Re: [Jmol-users] can JSMOL be used into the Joomla CMS?

2014-03-13 Thread Robert Hanson
Pierluigi, Welcome! That message indicates that your installation is missing critical files. Perhaps they are on a different server; perhaps they were omitted. If your script tag, for example, reads: http://verdi.unito.it/jsmol/JSmol.min.js";> then you need to make sure that the Info array

[Jmol-users] can JSMOL be used into the Joomla CMS?

2014-03-13 Thread pierluigi . quagliotto
Dear Bob and dear all, I am trying to set-up a server to help my students to learn organic chemistry and, due to this, I tried to use a CMS (Joomla, 2.5.17 version, stable, for long term production). The site should be available in a few days, when IT services of my University (University of To

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Robert Hanson
One more comment, and I'll stop. It is true that a Java program can read the clipboard and place contents into it without any user knowledge. I think it is fortunate that this is not possible in HTML5. I think what the discussion about an HTML5 clipboard object is about is providing some sort of G

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Angel Herráez
On 13 Mar 2014 at 14:51, Robert Hanson wrote: > The user should see a standard browser download notification. no? Oh yes, for saving the image, right. I was thinking of our recent discussion on copying to clipboard. Forget it ---

Re: [Jmol-users] Color broken?

2014-03-13 Thread Robert Hanson
Susi, It's just parameter ordering 1) TRANSLUCENT must come before the color name, not after. 2) the COLOR keyword must come before the file name or be omitted: isosurface pos 6.642e-02 color translucent chartreuse "orbital.1.cube" isosurface pos 6.642e-02 "orbital.1.cube" translucent chartreu

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Robert Hanson
The user should see a standard browser download notification. no? On Thu, Mar 13, 2014 at 8:25 AM, Angel Herráez wrote: > > var img = new Image(); > > img.src = "data:image/jpg;base64," + > > Jmol.getPropertyAsString(jmolApplet0,"image"); > > Yes, that's basically what I have. Very fast (when t

[Jmol-users] Color broken?

2014-03-13 Thread Susi Lehtola
Hi, it looks like isosurface coloring in JMol has broken. For instance, isosurface pos 6.642e-02 "orbital.1.cube" color chartreuse translucent results in a plot where the orbital has blue color... If I change the color manually in the gui from the drop down menu, it works as it should. -- -

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Angel Herráez
> var img = new Image(); > img.src = "data:image/jpg;base64," + > Jmol.getPropertyAsString(jmolApplet0,"image"); Yes, that's basically what I have. Very fast (when the browser supports it, luckily now all modern ones do) > write t.png > > Delivers the image. Delivers into a variable

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Robert Hanson
Also: var img = new Image(); img.src = "data:image/jpg;base64," + Jmol.getPropertyAsString(jmolApplet0,"image"); Now you have a nice antialiased image of the model that you can put anywhere, for example: $("body").append(img) On Thu, Mar 13, 2014 at 7:37 AM, Robert Hanson wrote: > write t.

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Robert Hanson
write t.png Delivers the image. On Thu, Mar 13, 2014 at 3:26 AM, Angel Herráez wrote: > Thanks, Bob > > > write COORDS "fileName" > > Writes a file including only the previously selected atoms, > modifying the > > coordinates to the current view if the file type is one of: CD, > JSON,

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Rolf Huehne
On 03/13/2014 09:26 AM, Angel Herráez wrote: > The caniuse link sounds intriguing --and not explanatory at all ;) > I will have a look. > Behind 'Working Draft' in that page there is actually this link to the working draft specification: http://www.w3.org/TR/clipboard-apis/ Regards, Rolf -- R

Re: [Jmol-users] custom axes labels (DOC needs correction)

2014-03-13 Thread Angel Herráez
Excellent! > Yes, the documentation was incorrect. Thanks. -- Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. Written by three

Re: [Jmol-users] difference between "write" and "write coord" for MOL vs XYZ

2014-03-13 Thread Angel Herráez
Thanks, Bob > write COORDS "fileName" > Writes a file including only the previously selected atoms, modifying the > coordinates to the current view if the file type is one of: CD, JSON, > MOL, > SDF, V2000, or V3000. OK. No transformed coords in xyz format > 2. Reading a PyM