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? <br><br><div class="gmail_quote">On Fri, Mar 23, 2012 at 11:50 AM, Nathaniel Echols <span dir="ltr"><<a href="mailto:nechols@lbl.gov">nechols@lbl.gov</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">On Fri, Mar 23, 2012 at 5:32 AM, Ming <<a href="mailto:dongming@udel.edu">dongming@udel.edu</a>> wrote:<br>
> But the refinement results were different between these two ways. The R fac<br>
> is 1% different. I think ready set is only making the phenix.refine easier<br>
> by generating ligand and building H, but if I do all the work of ready set<br>
> and prepare the files for phenix.refine. Aren't they supposed to give the<br>
> same results back? Can anyone help me here? Thanks a lot.<br>
<br>
</div>Could you please clarify which refinement worked better? When you set<br>
up the files manually, did you not add hydrogens to the PDB file?<br>
Sometimes this makes a big difference.<br>
<br>
-Nat<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Ming<br><br>