[phenixbb] Changing the resolution cutoff for water picking

Pavel Afonine PAfonine at lbl.gov
Thu Sep 10 10:10:54 PDT 2009

Hi Sam,

> I'm refining a 2.88 resolution structure and would like to pick 
> waters.  I assume the default low_resolution is set to 2.8 Angstroms 
> and so my lower resolution map is not yielding any waters.

Yes, this is correct.

> How do I change the resolution cutoff for water picking to be 3.0 
> Angstroms?  I tried adding 
> "refinement.ordered_solvent.low_resolution=3.0" to my command line 
> arguments 

This is exactly what you need to do.

> and phenix is reading this, but the refinement crashes about 15 
> seconds in with the message:
> ================== Extract refinement strategy and selections 
> =================
> Sorry: Selection string 'water' results in empty selection (selects no 
> atoms).

I can't tell anything based on the above error message. Can you send me 
the exact command you used including all parameter files (if any)?


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