23 Mar
2012
23 Mar
'12
3:50 p.m.
On Fri, Mar 23, 2012 at 5:32 AM, Ming
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