Re: [ccp4bb]: refmac5

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Cristy Nonato wrote:
> 
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>     Dear CCP4bb members
> 
>     I am refining a structure which contains several zinc ions and one
> of them is sitting on
>     a two fold axis. I have set its occ to 0.5.
> 
>     When I try to refine it using refmac5, the position for this atom is
> shifted, pushing it apart from
> its symmetry related atom.
> 
>     Is there anyway to avoid this problem?
> 
>     Thanks everybody!
> 
>     Cristy
> 


 Well - it shouldnt happen if the occupancy is 0.5 ..

 Use monitor many and see if it comes up in the list of bad VDW
contacts.
Eleanor