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Hi Nick,

you can refine B-factors while leaving coordinates untouched by using the 'refi bonly' keywords. You can also preset an average (e.g. Wilson B) and have refmac do coordinate refinement (http://www.ccp4.ac.uk/html/refmac5/keywords/xray-principal.html#refi).

Cheers,

Jon

On Wed, 20 Feb 2019 at 11:29, Pearce, N.M. (Nick) <[log in to unmask]> wrote:

Hi all,

Is it possible to fix the B-factors/coordinates of a model in refinement with REFMAC?

It’s trivial to do so in phenix.refine (strategy=…), but I can’t find an equivalent command line flag in refmac…

Thanks,
Nick

Post-doctoral Fellow,
Crystal and Structural Chemistry,
Utrecht University

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Dr Jon Agirre

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York Structural Biology Laboratory / Department of Chemistry
University of York, Heslington, YO10 5DD, York, UK
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