VMD-L Mailing List

From: Thomas Evangelidis (te8624_at_mbg.duth.gr)
Date: Thu Jun 18 2009 - 02:55:52 CDT

Dear VMD users,

I have the new coordinates of a protein in the following form:

         X2 = -0.79814*(X1-99.4985) + -0.50649*(Y1-55.308) +
-0.32625*(Z1-26.91025)
         Y2 = 0.40972*(X1-99.4985) + -0.85333*(Y1-55.308) +
0.32243*(Z1-26.91025)
         Z2 = -0.44171*(X1-99.4985) + 0.12367*(Y1-55.308) +
0.88859*(Z1-26.91025)

So I set the following matrix for the transformation:

{{-0.79814 -0.50649 -0.32625 -99.4985} {0.40972 -0.85333 0.32243
-55.308} {-0.44171 0.12367 0.88859 -26.91025} {0.0 0.0 0.0 1.0}}

but the molecule is moved to a completely different location than the
one it should be. I am confused, either the matrix or the coordinates
are wrong. Can anyone shed some light on this please?

thanks in advance,
Tom