VMD-L Mailing List

From: Yinglong Miao (yimiao_at_indiana.edu)
Date: Wed Feb 25 2009 - 14:55:27 CST

Dear VMD developers/users,

>From the user guide, I found matrix routine "transabout" to generate a
transformation matrix needed to rotate a molecule around an axis by the
given amount, but no routine on the reverse process: calculate the angle
from the matrix obtained by fitting structures. Has anyone tried this? It
would be great if there is something I missed and ready to use. Or I have to
do the calculations by myself.

Thanks in advance! 

-- 
Yinglong Miao
Ph.D. Candidate
Center for Cell and Virus Theory
Chemistry Department, Indiana University
800 E Kirkwood Ave Room C203A, Bloomington, IN 47405
Tel: 1-812-856-0981