Re: Occupancy refinement in Refmac

[Eleanor Dodson <ccp4@yorvic.york.ac.uk>]

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On Jan 15,  5:44pm, Borhani, David wrote:
> Subject: Occupancy refinement in Refmac
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> Is there a way to refine the occupancies of alternate side chain
> conformations in Refmac? (Data to 1.6 Ang.). I did not see it mentioned
> in the documentation.
>


 No - you can refine B factors only..
 We start at 0.5/0.5 and then look at the B factors, and ( maybe) make
adjustments.. But even at 1.6A it is a bit tricky to combine B factors AND
occupancy..
 Eleanor Dodson

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Eleanor J.Dodson, Chemistry Department, University of York, U.K.
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