[cctbxbb] solvent mask
celine Besnard
celine.besnard at epfl.ch
Mon Oct 15 07:17:52 PDT 2007
Hi
I have a question about solvent mask in cctbx. I generated a mask using
the mask manager. Then I am calculating the structure factors from the
mask (using mask_manager.structure_factors() ). If I am trying to redo a
map from the calculated structure factors (outside the cctbx and I hope
without any scaling), I get a map with a mean density of zero, which is
not the case of the original mask. I suppose that the
structure_factors() function is doing some scaling at some point. In the
source codes of the function structure_factors , I found
scale = miller_set.unit_cell().volume() /
matrix.col(fft_manager.n_real()).product()
map_of_coeff *= scale
from_map = maptbx.structure_factors.from_map(
miller_set.space_group(),
anomalous_flag,
miller_set.indices(),
map_of_coeff,
conjugate_flag)
But I don't understand what the "scale line" is doing.
So I wonder what is exactly this
matrix.col(fft_manager.n_real()).product() doing? And how do I generate
structure factors for a mask without any scaling?
Thanks for any help
Celine
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