Re: [phenixbb] about readyset

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 wrote:

On Fri, Mar 23, 2012 at 5:32 AM, Ming 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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-- Ming