On 02/02/2010 07:50 PM, Otis Rothenberger wrote:
3) I've casually followed the user group for many years, but I only
recently started asking group questions related to the rebirth of an
old Jmol project. I don't know the protocol for requests or key words,
can you point me?
Feature requests
Otis,
1) It works like a charm, at least with 2-butanol. I understand what
each line in your script is saying, but I never could have come up
with this on my own!
excellent!
2) The find axis component of the script will be of general use to me.
I've been agonizing over drawing initial
Thank you for that detailed explanation of quaternions, Bob! This is the
first time I've actually been able to picture how to utilize them in a
general way. (guess I just needed a different explanation)
-Tom
On Wed, Feb 3, 2010 at 7:09 AM, Robert Hanson hans...@stolaf.edu wrote:
Otis,
Takes some getting used to. Basically:
1) You can define little local xyz frames based on any three atoms.
2) You can use differences of quaternions -- q1/q2 -- to determine
relative orientation.
3) You can use quaternions in rotation commands in Jmol.
I think the best demo of this is
very cool -- I'm going to need to study that :)
-Tom
On Wed, Feb 3, 2010 at 12:05 PM, Robert Hanson hans...@stolaf.edu wrote:
Takes some getting used to. Basically:
1) You can define little local xyz frames based on any three atoms.
2) You can use differences of quaternions -- q1/q2 --
Bob-
Absolutely NOT more than I wanted to know. Thanks for the tutorial.
Otis
Probably more than you wanted to know.
Bob
--
Otis Rothenberger
http://chemagic.org
--
The Planet: dedicated and managed
Otis,
It would be good to implement that. Feature request! Suggest a keyword
option that would describe this.
There is a scripting way to do this. You find the axis perpendicular to the
two groups, determine the angle required, and rotate one CW while the other
CCW.
Given center {C} and two
Bob,
Three points:
1) It works like a charm, at least with 2-butanol. I understand what
each line in your script is saying, but I never could have come up
with this on my own!
2) The find axis component of the script will be of general use to me.
I've been agonizing over drawing initial
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