[Jmol-users] Add atom from command line

So sorry to bother all of you, but I have searched in vain for this. Is it possible to add an atom from the command line (say, to a selected atom)? If so, where is the reference for that? Thanks, Donna Perygin-- Check

Re: [Jmol-users] Jmol 14.15.1

Bob The version you published yesterday works fine for finding chirality in my organo PS cage compounds (e.g. with 67 atoms), both in JSmol and in Jmol_S. The problem with writing mo jvxl files is also fixed for me. Contour plots on a plane .pmesh files do come back with the same colour

[Jmol-users] Fwd: Important MathJax Information

FYI -- Forwarded message -- From: Timothy Wallace Date: Fri, Apr 28, 2017 at 12:20 PM Subject: Fwd: Important MathJax Information On April 30th MathJax are closing their self-hosted CDN (Content Delivery Network) services at *cdn.mathjax.org

Re: [Jmol-users] Add atom from command line

Hi Donna You could probably use set appendNew false load append data .. See https://chemapps.stolaf.edu/jmol/docs/#set_appendnew https://chemapps.stolaf.edu/jmol/docs/#loadappend https://chemapps.stolaf.edu/jmol/docs/#loaddata https://chemapps.stolaf.edu/jmol/docs/#data --- El software

Re: [Jmol-users] Jmol 14.15.1

OK, that version is broken for CIP chirality determination in JavaScript. Ran into an odd Java->JavaScript problem that requires recompilation. Simple structures will work, but more advanced issues will cause atoms to not display a chirality designation with label %[chirality]. JavaScript only;

Re: [Jmol-users] scripting syntax

[I'm moving this to the jmol-users list] Hi Jeff I foresee no problem in your scripts. My advice is that you right-click and open the Console, then paste there your scripted commands one at a time and see which one gives the error or fails to work. On 28 Apr 2017 at 15:15, Jeff Sims wrote:

Re: [Jmol-users] Jmol 14.15.1

Bob and Bruce: Bruce: Happy to see writing jvxl files working for you. No luck here with 14.15.1 using Gaussian cube files. Any thoughts. Fred > On Apr 28, 2017, at 2:46 PM, Bruce Tattershall > wrote: > > Bob > > The version you published yesterday

Re: [Jmol-users] Jmol 14.15.1

Fred, what's your story? I'm reading and writing Gaussian cube files. Example? On Fri, Apr 28, 2017 at 3:29 PM, fziegler wrote: > Bob and Bruce: > > Bruce: Happy to see writing jvxl files working for you. No luck here with > 14.15.1 using Gaussian cube files. Any

[Jmol-users] Follow up ?

Bob: It is my understanding that you have implemented the CIP sub-rule “Z precedes E”. For (4R, 2Z, 5E)-4-methylhepta-2,5-diene, R, E and Z are displayed using the console. But we cannot display R on http://ursula.chem.yale.edu/~chem220/chem220js/STUDYAIDS/isomers/RSEZcombo/RSEZcombo.html E