[phenixbb] about readyset

Nathaniel Echols nechols at lbl.gov
Fri Mar 23 08:50:55 PDT 2012

On Fri, Mar 23, 2012 at 5:32 AM, Ming <dongming at udel.edu> wrote:
> But the refinement results were different between these two ways. The R fac
> is 1% different. I think ready set is only making the phenix.refine easier
> by generating ligand and building H, but if I do all the work of ready set
> and prepare the files for phenix.refine. Aren't they supposed to give the
> same results back? Can anyone help me here? Thanks a lot.

Could you please clarify which refinement worked better?  When you set
up the files manually, did you not add hydrogens to the PDB file?
Sometimes this makes a big difference.


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