Re: [Jmol-users] constructing atom expression with variables

2013-12-21 Thread Robert Hanson
On Fri, Dec 20, 2013 at 6:55 PM, Whitwell, George gwhitw...@ncwc.eduwrote: Hello again, The following script: modcnt = getproperty(modelinfo.modelcount) // modcnt=6 gmsmodel = {1..add(@modcnt).add(}) //gmsmodel = {1.6} So that could be just {1. + modcnt + } print

[Jmol-users] Problems with Sync in sync2.htm

2013-12-21 Thread Greeves, Nick
I have been working on some pages which use the syncing between applets and observing problems. I think something has changed recently and to tie down the problem I have been using Bob’s sync2.htm. The current live version http://chemapps.stolaf.edu/jmol/jsmol/sync2.htm loads OK but checking

[Jmol-users] NaN, @, var and minimizer energy confusions

2013-12-21 Thread Whitwell, George
Greetings, I've no doubt that there is a simple explanation for each of these items; however, I haven't been able to search any out. From the following script: zap; load SYNC file:///C:/Compchem/s-pentane/spentane.xyz rotdeg = 120 var steps=360/rotdeg measure {C5}{C3}{C1}{H6} targang

Re: [Jmol-users] NaN, @, var and minimizer energy confusions

2013-12-21 Thread Robert Hanson
I think it's a combination of two problems. print @targang.add(\t).add(conang) is not doing what you think. I know, it's tricky. That says, find the variable with the name given in the variable targang and array-add it with. That's because the print command has only one argument - a math

Re: [Jmol-users] NaN, @, var and minimizer energy confusions

2013-12-21 Thread Robert Hanson
It's the other way around: $ print 3 + 5.2 should be 8.2 and print 3 * 5.2 should be 15.6 That's a bug. Hmm. I see there is an inconsistency there... $ print 3 + 5.2 8 $ print 3-5.2 -2.198 $ print 3*5.2 15 $ print 3/5.2 0.5769231 I think the - and / there are bugs. --