[phenixbb] about readyset
dongming at udel.edu
Fri Mar 23 11:50:23 PDT 2012
Hi, the one with manually adding cif files works better. and no I didn't
add hydrogens to the pdb file. How did that make a difference tho?
On Fri, Mar 23, 2012 at 11:50 AM, Nathaniel Echols <nechols at lbl.gov> wrote:
> 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
> > is 1% different. I think ready set is only making the phenix.refine
> > by generating ligand and building H, but if I do all the work of ready
> > 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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> phenixbb at phenix-online.org
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