[phenixbb] about readyset

Ming 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
> 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.
> -Nat
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20120323/319832da/attachment.htm>

More information about the phenixbb mailing list