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
Hi, we need to pick a version of cctbx for CCP4 for use in phaser and DIALS.
The latest logs at
cci.lbl.gov/cctbx_build/show_error_summary.cgi?build_tag=2014_10_05_2205
show in all builds:
[Errno 2] No such file or directory
Traceback (most recent call last):
ImportError: __import__("boost_python_meta_ext"): No module named
boost_python_meta_ext
Is it better to pick older version?
Marcin
Dear cctbx devs,
Does anyone know how to make a miller set from a list of (h, k, l) indices?
e.g. [(1,2,3), (34, 1, 45), .... ]
Cheers,
Oliver
--
Dr. Oliver B. Zeldin
Brunger Group
Stanford University
