Dear Pavel,
I guess you know that Billy made cctbx "available" on colab. So
installing cctbx and python is not needed any more.
https://github.com/phenix-project/Colabs/blob/main/Start_cctbx.ipynb
There are also some descriptions of some modifications to
the installation so that everything works.
I planned to write a few exercises for the X-ray practical I am holding
For example for students it is often difficult to see how the number of
reflections change depending on the space group, resolution, .... .
The code which is actually from you is implemented, but task description
is still missing.
One other idea was that student should calculate from a "precision
image" the unit cell dimensions.
However I got always sidetracked before the course started.
There was a mail from James Holton I think at the beginning of the
pandemic suggesting to make a centralized teaching source. For practical
things this could be a starting.
Some other ideas which could be implemented are published here.
https://conference.scipy.org/proceedings/scipy2021/blaine_mooers.html
https://pubmed.ncbi.nlm.nih.gov/34671231/
Br, Georg.
Am 13.07.2022 um 20:28 schrieb Pavel Afonine:
Hi Ravikumar,
this can be easily done in CCTBX, but requires knowing CCTBX and
Python scripting. I can write a script-example for you, if interested,
or feel free to give it a try yourself and let me know if you need any
help.
Pavel
On Wed, Jul 13, 2022 at 11:19 AM Ravikumar <ravi21vi...@gmail.com> wrote:
Dear all,
I would like to calculate One-dimension electron density profiles
of the different number of ions bound to an ion channel. Are there
any programs in CCP4/ Phenix which can do the same job as the
MAPMAN (UPPSALA electron density server) program to extract the
electron density values to plot electron density values versus
pore axis? I have attached an example figure.
Thank you,
Ravikumar.
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