[cctbxbb] Structure Factor for 000

Pavel Afonine pafonine at lbl.gov
Thu Jul 28 08:30:02 PDT 2016


Hi Gareth,

in case of macro-molecules you also need to account for bulk-solvent 
contribution, page 43:

http://phenix-online.org/newsletter/CCN_2012_07.pdf

which isn't included in that function of structure.py.

This one (class f_000 in mmtbx) attempts to account for bulk-solvent as 
well.

Pavel

On 7/28/16 02:57, Gareth.Nisbet at diamond.ac.uk wrote:
> Is it possible to get the structure_factors function to give the structure factor for the 000 reflection?
> I appreciate this might be a slightly odd question.
>
> Gareth
>



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