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
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