Re: [Jmol-users] jmol-14.1.8_2014.02.01 -- Get your predicted NMR spectra here!

2014-02-03 Thread Mike Casey
Congratulations, and a big thank you, to all involved – this is great work. The potential of the new “triad” for teaching and learning is clear, and exciting! The underlying additions to the SMILES capabilities of Jmol sound very interesting and will offer new opportunities for development of

Re: [Jmol-users] Question: What is the preferred way to save JSmol state and orientation?

2014-02-03 Thread Charles Harrison Shubert
Hi Bob and Paul, Thanks for your replies (both are very helpful). The PNGJ functionality looks great! Can I save my app’s private UI state (preferences, etc) as a variable or static function in JSmol so that PNGJ will write it to the .png file? (I can imagine the user saving the PNGJ .png file

Re: [Jmol-users] Question: What is the preferred way to save JSmol state and orientation?

2014-02-03 Thread Alexander Rose
Hi, I am also quite interested in that. Can I save my app’s private UI state (preferences, etc) as a variable or static function in JSmol so that PNGJ will write it to the .png file? As far as I know user defined variables or functions (from jmolscript) are not saved within the Jmol state.

Re: [Jmol-users] script() function path question

2014-02-03 Thread Whitwell, George
Of course, this makes perfect sense. I had noted that a quoted script with directories works while without quotes, it doesn't. Your explanation hadn't occurred to me. Thanks for improving my understanding of this. George From: Robert Hanson [mailto:hans...@stolaf.edu] Sent: Thursday,

Re: [Jmol-users] Tinker xyz files as Jmol input

2014-02-03 Thread Whitwell, George
Bob, Don't recall that you did. Tinker uses the same format for dynamics archives with multiple structures. In my test, load tinker::argon.arc read the first model (of five) and stopped. Thanks for continually improving Jmol capabilities. The new nmr features are remarkable. I plan on

[Jmol-users] Jsmol fails to load the pdb file in Chrome, works in Firefox

2014-02-03 Thread Dina Schneidman
Hi, I have converted Jmol to Jsmol using adapter library. All works well in Firefox, however for Chrome I get an error message: unrecognized file format for file ... Here is a link to the page: