[phenixbb] Can the Update Waters routine ignore specified waters?

Pavel Afonine pafonine at lbl.gov
Tue Apr 3 08:12:55 PDT 2012

Hi John,

no, not at the moment. Only turning water update off will leave the 
water alone.

Could you please explain why you would like to do this?


On 4/3/12 8:01 AM, John Pascal wrote:
> Hello All,
> While using Update Waters in the phenix GUI, several waters that have 
> been defined around a metal binding site are removed.  I am happy with 
> the placement of these waters - can I specify somewhere that Update 
> Waters should leave them alone?  and that their positions, etc. are 
> still refined during the run?  Thanks.
> Best Regards,
> John

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