I can't reproduce your problem. for me,
rotate quaternion @q
where q is a quaternion works fine. That Java method seems to be working
correctly --
write coord t.mol
uses that, and it works for me. So it must be something in your code.
On Thu, Feb 27, 2014 at 12:37 PM, jiayi.zhou <jiayi.z...@mun.ca> wrote:
> Hi, I was trying to use Jmol's functions to build an app for my own need.
> I met a strange problem when I was using the function transformP2.
> For example, I use Measure.getQuaternion() to get a quaternion. Let's call
> it q. Then I use q.transformP2(ptA,ptAnew) to get every atom's coordinates
> of a structure after rotation.
>
> Then I also used Jmol script "rotate QUATERNION {q.q1 q.q2 q.q3 q.q0} to
> rotate the structure and then get the coordinates.
>
> I notice the coordinates I get from these two ways are not equal. I found
> out that the coordinates I got by function transformP2 are correct. The
> coordinates I got by using rotate script are not. Do you know why?
>
> Thank you
> --
> Aiden/Jiayi Zhou
>
> Office Tel: 709-864-4891
> Master Candidate
> Dept. of Computer Science
> Memorial University of Newfoundland
> St. John's, NL, Canada, A1B 3X5
>
> P I*f you decide to print this...*
>
> * then you'll need to find a place to file it...!*
>
>
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Northfield, MN
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If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
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Monitor traffic, SLAs, QoS, Medianet, WAAS etc. with NetFlow Analyzer
Customize your own dashboards, set traffic alerts and generate reports.
Network behavioral analysis & security monitoring. All-in-one tool.
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