[buster-discuss] Help with restraints

[Jonathan Grimes]

  ive just thought i can set occupancies to zero !!

   jon

> On 29 Nov 2018, at 13:32, Jonathan Grimes <jonathan at strubi.ox.ac.uk> wrote:
> 
> 
>   we have a low res data set, with 80% solvent
>   and 3.5 dimers in the asym unit.   the dimer is a pair of 
>   alpha helices (the molecule is a bZIP protein).  There is 
>   disulphide that stabilises the dimer, which we also see on 
>   gels.
> 
>   we have been asked during the review process to delete the 
>   cysteines (ive changed to glycine) and rerefine and calc omit 
>   maps ….ie to show big blobs where disulphide is.
> 
>   is there a way of restraining the helices to be helices…..what happens 
>   is the carbonyls of the glycine refine into the sidechain density
> 
>   thanks
>   jon
> 
> 
> 
> Prof. Jonathan M. Grimes, 
> NDM Senior Research Fellow
> DIAMOND Research Fellow
> 
> Division of Structural Biology
> Wellcome Centre for Human Genetics
> University of Oxford
> Roosevelt Drive,
> Oxford OX3 7BN, UK
> 
> Email: Jonathan at strubi.ox.ac.uk <mailto:Jonathan at strubi.ox.ac.uk>, Web: www.strubi.ox.ac.uk <http://www.strubi.ox.ac.uk/> 
> Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547       
> 
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Prof. Jonathan M. Grimes, 
NDM Senior Research Fellow
DIAMOND Research Fellow

Division of Structural Biology
Wellcome Centre for Human Genetics
University of Oxford
Roosevelt Drive,
Oxford OX3 7BN, UK

Email: Jonathan at strubi.ox.ac.uk, Web: www.strubi.ox.ac.uk 
Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547       

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