[cctbxbb] Experimental gradients
Kristoffer Lundgren
kristoffer.lundgren at compchem.lu.se
Tue Oct 3 08:13:42 PDT 2023
Hello all,
I am wondering if it is possible to use cctbx to calculate gradients from experimental data? Both in reciprocal and real space is of interest.
Are there any code examples available somewhere showcasing how this can be achieved?
Best regards
Kristoffer Lundgren
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