[phenixbb] Fixing waters around metal atom

Pavel Afonine pafonine at lbl.gov
Wed May 14 08:00:16 PDT 2008

Hi Andrzej,

currently you cannot fix selected waters. I will add this option in future.


On 5/13/2008 11:38 PM, Jendrek wrote:
>   Hi,
>   I have a structure with a metal beautifully coordinated by 3 water molecules. 
> However, every time I run phenix.refine water picking they get removed (probably 
> due to combination of being too close to metal/too deep in the density).
>   So far I've been manually reentering them into pdb but it becomes a bit 
> frustrating.
>   Is there a way to fix those waters during water picking?
>   Regards, Andrzej

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