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 O/PHASES masks (so I'm probably off
on the details for CCP4 stuff): maprot should be able to handle the
transformation and interpolation, but you may have to use a mask -> map
-> maprot -> mask pathway. This isn't ideal due to differences in mask
interpolation vs map interpolation but could be a good starting point.
Determining the transformation may be tricker - I'd try placing
pseudo-atoms at similar features in both maps and using lsqkab to get
the transformation matrix; but this approach would probably need tuning
to get a good alignment.
Good luck,
Pete
Francis E Reyes wrote:
Hi all
I'm using dmmulti and one of my crystal forms seems to have a better solvent mask (after outputting it with solout) than the other. (Probably due to better phased reflections at low res for the first crystal form). Is it possible to take the better solvent mask and use it as input for the solvent mask for the other? How's this done? (a direct input of the better xtal1 mask to xtal 2 gives 'inconsistent cell info').
Thanks!
F
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Francis E. Reyes M.Sc.
215 UCB
University of Colorado at Boulder
