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CCTBX Conversion: Map functions #236

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stephaniewankowicz opened this issue Jul 17, 2022 · 0 comments
Open

CCTBX Conversion: Map functions #236

stephaniewankowicz opened this issue Jul 17, 2022 · 0 comments

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@stephaniewankowicz
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Certain map functions and manipulations within qfit.py need to be altered to CCTBX functionality.

Many of these functions exist within xmap.py

  1. extract resolution
  2. get a blank copy of the map (zeros_like)
  3. calculate the volume of a map
  4. set space group (already written, just needs to be implemented)
  5. masking of map array and having the ability to extract map arrays from map object
natechols added a commit to natechols/qfit-3.0 that referenced this issue Nov 12, 2023
@natechols
use CCTBX gridding and resolution for SFTransformer ExcitedStates#236
a97781a
natechols added a commit to natechols/qfit-3.0 that referenced this issue Nov 25, 2023
@natechols
use CCTBX FFT for map coefficients, and apply CCTBX gridding to model…
3391d72 
… transformation ExcitedStates#236
natechols added a commit to natechols/qfit-3.0 that referenced this issue Jan 16, 2024
@natechols
completely replace masking with cctbx implementation ExcitedStates#236
20a431f
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