Re: [Jmol-users] Jcamp-mol setup

2017-04-21 Thread PASCAL Andrew
Looks great, thanks Bob. andy pascal (andrew.pas...@cea.fr) From: PASCAL Andrew Sent: 13 April 2017 15:21 To: jmol-users@lists.sourceforge.net Subject: [PROVENANCE INTERNET] Re: [Jmol-users] Jcamp-mol setup That would be great! I'm animating a carotenoid,

Re: [Jmol-users] Jmol 14.14.1

2017-04-21 Thread Pshemak Maslak
I can confirm: the command (in bold below) generated the expected closed CAP surfaces in Jmol and JSmol. Thanks Bob, PM On 4/20/2017 10:34 PM, Robert Hanson wrote: On Thu, Apr 20, 2017 at 8:35 AM, Pshemak Maslak > wrote: Bob; I am looking

Re: [Jmol-users] Jmol 14.14.1 chirality

2017-04-21 Thread Bruce Tattershall
Dear Bob The chirality calculation is clearly useful. I have tried it on my chiral phosphorus compounds, e.g. as in https://www.staff.ncl.ac.uk/bruce.tattershall/structs/bpthiq.php and it finds the chiral carbons in the organic ligands and successfully labels them (as R in this case), but it

Re: [Jmol-users] Jmol 14.14.1 chirality

2017-04-21 Thread Robert Hanson
On Fri, Apr 21, 2017 at 11:10 AM, Bruce Tattershall < bruce.tattersh...@newcastle.ac.uk> wrote: > Dear Bob > > > > The chirality calculation is clearly useful. > > > > I have tried it on my chiral phosphorus compounds, e.g. as in > >

Re: [Jmol-users] Jmol 14.14.1 contour isosurfaces as .pmesh files

2017-04-21 Thread Bruce Tattershall
Dear Bob I have been trying out your new .pmesh feature. It works well for me, both in JSmol and in Jmol_S. Thanks very much: that solves my timing problems with orbital contour plots in a plane, and I will work on converting the web pages concerned to read in pre-saved isosurfaces instead

[Jmol-users] R/S-E/Z

2017-04-21 Thread fziegler
Bob: We have expanded an RS html to include EZ [http://ursula.chem.yale.edu/~chem220/chem220js/STUDYAIDS/isomers/RSEZ/RSEZexercises.html ]. There are several questions. 1) Can the RS tags be separated