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Dear all:
I am trying to overlay two electron density maps for a model 1 and a model
2 arround an area of confusing electron density.
The way I have tryied doing it is by superimposing (using LSQKAB) my
model1 onto model2 to obtain rotation and translation values. Then apply
these values to map 1 to have it overlayed with map2 (using MAPROT).
ThE output of LSQKAB is as follows:
-------
...
ROTATION MATRIX
-0.682 0.709 0.182
-0.008 -0.256 0.967
0.732 0.657 0.180
PATTERSON SPHERICAL POLARS OMEGA PHI CHI OMEGA TO AXIS ZO PHI FROM
AXIS XO TO AXIS YO
WHEN BETA=0 CAN ONLY DEFINE ALPHA + GAMMA .
WHEN BETA = 180 CAN ONLY DEFINE GAMMA - ALPHA.
CROWTHER ALPHA BETA GAMMA 79.31370 79.63331 138.06197
SPHERICAL POLARS OMEGA PHI CHI 138.65047 -119.37421 151.50566
DIRECTION COSINES OF ROTATION AXIS -0.32406 -0.57572 -0.75069
Angle between rotation axis and Centroid vector 19.75700
THE TRANSLATION VECTOR IN ANGSTROMS ALONG THE ORTHONORMAL AXES IS
54.17021 4.68176 75.50177
THE TRANSLATION VECTOR IN FRACTIONS of the CELL EDGE IS
0.892866 0.029432 0.341637
7857 ATOMS WRITTEN TO "LSQOP"
LSQKAB: Normal Termination
........
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I have tryed aplying either the ROTATION MATRIX, the ALPHA BETA GAMMA
angles, the OMEGA PHI CHI angles or the DIRECTION COSINES with either the
THE TRANSLATION VECTOR IN ANGSTROMS or the THE TRANSLATION VECTOR IN
FRACTIONS but none of these transformation of the maps yield a map in
space arround the model that I get from the superposition.
I am wondering wether any of these values need any for of transformation
or wether there is a better way of obtaining the values for the opperators
I need to apply to my map to have it place in the right place in space.
Thank you very much for your help
Juan
