> When "correcting" FOBS for anisotropy by applying the anisotropic
> B-factors, only the Fs and not the sigmas are changed. Is there a way
>
That's an important point. I would recommend to use the "do"
statement to apply the anisotropic B factor to the sigmas, e.g.,
do (sigma=$K2*exp(-( $B2_11*h*h*$astar*$astar
+$B2_22*k*k*$bstar*$bstar
+$B2_33*l*l*$cstar*$cstar
+2.0*$B2_12*h*k*$astar*$bstar
+2.0*$B2_13*h*l*$astar*$cstar
+2.0*$B2_23*k*l*$bstar*$cstar
)/4.0)*sigma)
The variables $B, $astar, etc, need to be defined manually. The next
release of X-PLOR has all these variables internally declared.
Axel Brunger
