pafonine at lbl.gov
Thu Apr 2 08:11:06 PDT 2015
even if you enable water update (add/remove/refine) phenix.refine will
only do it if data resolution is higher than 2.8A. In case your data
resolution is lower than 2.8A and you still want phenix.refine update
water you need to set ordered_solvent.low_resolution to some large value
like 3 or so.
In the GUI, ordered_solvent.low_resolution can be set as:
Refinement settings -> All parameters -> Ordered solvent -> Minimum
If it still does not add water than perhaps data or current model
quality isn't sufficient to do so automatically.
On 4/2/15 2:05 AM, Almudena Ponce Salvatierra wrote:
> Dear all,
> I am using Phenix.refine after MR and I have a complete model and data
> to 2.8 Angstrom resolution. However, for some reason, Phenix does not
> place any water molecules. Is there a setting I could change in order
> to see whether this situation changes? What could the reason be?
> Thanks a lot in advance.
> Almudena Ponce-Salvatierra
> Macromolecular crystallography and Nucleic acid chemistry
> Max Planck Institute for Biophysical Chemistry
> Am Fassberg 11 37077 Göttingen
> phenixbb mailing list
> phenixbb at phenix-online.org
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