[phenixbb] Can the Update Waters routine ignore specified waters?
pafonine at lbl.gov
Tue Apr 3 08:12:55 PDT 2012
no, not at the moment. Only turning water update off will leave the
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,
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