VMD-L Mailing List

From: Eckhart Guthöhrlein (eckhart.guthoehrlein_at_uni-bielefeld.de)
Date: Wed Aug 25 2004 - 04:05:04 CDT

On Tue, Aug 24, 2004 at 09:41:23AM -0500, John Stone wrote:
> Probably the easiest method for obtaining the same view in VMD and
> in molscript is to supply the same view transformation matrices to both
> programs. If it is easy for you to take the view transform from VMD and
> apply it in molscript, then this sounds like the way to go. You can
> retrieve all of the VMD transformation matrices like this:
> molinfo top get center_matrix
> molinfo top get rotate_matrix
> molinfo top get scale_matrix
> molinfo top get global_matrix
>
> Let us know if you need help making this work.

I have tried 'molinfo top get rotate_matrix', giving me
{{0.514088 -0.724840 -0.458611 0.000000} {0.659784 -0.007478 0.751419
0.000000} {-0.548089 -0.688879 0.474391 0.000000} {0.000000 0.000000
0.000000 1.000000}}

Then in molscript:
transform atom * by rotation
 0.514088 -0.724840 -0.458611
 0.659784 -0.007478 0.751419
-0.548089 -0.688879 0.474391

This indeed gives me rather similar, but not identical views. What is
missing? I am not interested in the scale matrix, but maybe I have to
make use of the global and center matrix, but how? I tried some things
with molscript's transform by centre, but without success.

Regards,
Eckhart