Hi,
It's definitely possible, but the devil is in the details. It's a
two-step process: transform the coordinates of the mask so it's in the
right spot in the new cell, and interpolate the mask into the
appropriate grid for the new crystal form.
The last time I did this I was using
Hi Pete
Thanks for the reply.
As for the transformation, I was going to use the refined mask operator (either
from the end of a DM run that produces a better map for features I know have
to be there, or from a correlation of the averaging mask from MAVE).
The interpolation is going to be
Hi,
have a look into the supplement of the paper by Poul Nissen pointed out.
There are some shell scripts exactly for that purpose.
I had to adapt the scripts a bit, but the instructions are very well to
follow.
HTH
Guenter
Hi Pete
Thanks for the reply.
As for the transformation, I was
