Rob

I'm cc'ing Pavel who would be best to answer this question.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Email : NWMoriarty@LBL.gov
Web  : CCI.LBL.gov


On Thu, Oct 10, 2024 at 9:34 AM <robert@oeffner.net> wrote:
Dear CCTBX users/developers

I would like to calculate the theoretical electron density value at a point in space as a function of an atom specified by its coordinate and its form factor. I’ll assume it’s for a certain X-ray wavelength, say 1.0Å. If someone would have the time to give me a few pointers on how to do this using the CCTBX I'd be very grateful.

Thanks in advance,

Rob
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