[cctbxbb] Electron density hitogram from MTZ file
castro at biochem.mpg.de
castro at biochem.mpg.de
Mon Oct 27 05:45:37 PDT 2014
Hi everybody,
I am new in crystallogrphy and in the use of cctbx.
I am interested in building a electron density histogram from a mtz file.
Could somebody give a hint on how to accomplish this task using cctbx
libraries (I am scripting in python)?
Let's say that I already have the columns of interest as "miller arrays".
Then (I think), a grid (on the real space) needs to be created based
on unit cell parameters, to finally make the fft.
I think that most of my doubts are about the grid.
How small the grid should be with respect to the low-resolution limit?
Does the space group information needed or it is enough with the the
cell parameters?
Is there all ready a routine doing this?
Thanks a lot for your help.
Marcelino
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