[ccp4bb] rotating a map with maprot.

[Francis Reyes]

Hi all,

I'm having a difficult time rotating a map from crystal A to crystal B. 

I obtained the transformation matrices from lsqkab.  Specifically, the Crowther 
(Euler) Alpha beta gamma angles and the orthogonal A translation vector from 
superpose I supplied directly to maprot. 

However, the rotated map does not overlay with the target structure at all. 

Any ideas?

Thanks!,

F


Here are the log files :

lsqkab:

     ROTATION MATRIX:
           -0.40473  0.58092  0.70621
           -0.18898  0.70248 -0.68616
           -0.89469 -0.41117 -0.17453
  TRANSLATION VECTOR IN AS     -4.98599    26.07288   -22.20167



  TRANSLATION VECTOR IN fractions of cell edge     0.134444    0.402062   
-0.100921


  ROTATION MATRIX 
    -0.405     0.581     0.706
    -0.189     0.702    -0.686
    -0.895    -0.411    -0.175




  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.
  trace  0.1232092    
  not 10- dc(1),dc(2),dc(3),chk  0.1529777      0.8905933     -0.4283007    
   1.000000    

 CROWTHER (Euler) ALPHA BETA GAMMA    135.82501  -100.05162   155.31825
  SPHERICAL POLARS OMEGA PHI CHI    115.35986    80.25346   116.00163
  DIRECTION COSINES OF ROTATION AXIS      0.15298     0.89059    -0.42830



maprot script:

MODE FROM
SYMMETRY WORK 5
XYZLIM -32 57 -21 30 -15 41
GRID WORK 100 48 60
CELL WORK 105.9580 49.9510 62.6330 90.0000 114.7000 90.0000
AVERAGE
ROTATE EULER 135.82501 -100.05162 155.31825
TRANS -4.98599 26.07288 -22.20167