Re: [Jmol-users] Finally! A nice cyclohexane chair/chair flip demo

2011-02-28 Thread Otis Rothenberger
Bob, I can get the translated coordinates and frame adjustments from the state script of your page, so I have no problem loading your adjusted data for Hen's file. But I have looked at that file for years and said, Boy I'd like to translate the those coordinates. So, just as a Jmol learning

Re: [Jmol-users] Finally! A nice cyclohexane chair/chair flip demo

2011-02-28 Thread Robert Hanson
load http://wetche.cmbi.ru.nl/organic/cyclohexane/jm/chxinv.xyz for (var i = 1; i 35; i++) { var j = i+1;compare {model=j} {model=i} ROTATE TRANSLATE 0.0 } There are 35 models. This runs through the models, rotating and translating each model to be the best match to the previous model in the

Re: [Jmol-users] Finally! A nice cyclohexane chair/chair flip demo

2011-02-28 Thread Otis Rothenberger
Incredible! Load, frame all, and the following is instructive and fun to watch: for (var i = 1; i 35; i++) { var j = i+1;compare {model=j} {model=i} ROTATE TRANSLATE 0.0;delay .5 } Like I said. That file has been around for years, with lots of people asking about changing the C1 C2 fixed

Re: [Jmol-users] Finally! A nice cyclohexane chair/chair flip demo

2011-02-28 Thread Robert Hanson
Well, if you like that load http://wetche.cmbi.ru.nl/organic/cyclohexane/jm/chxinv.xyz rotate x 90 frame all for (var i = 1; i 35; i++) { var j = i+1;select {model=i}; color @{point(i*5 + 80, i*4 + 115, i*3 + 140)}; compare {model=j} {model=i} ROTATE TRANSLATE 0.5 } Nicely shows the C2