<div dir="ltr">Hi everyone,<div><br></div><div>I apologize at the beginning itself as I am new to using PHENIX/X-ray crystallography so this question might not make the most sense but I will try and explain it well.</div><div>
<br></div><div>I cut out a part of a map for a PDB fragment using phenix map cut out density resulting in a MTZ file.</div><div><br></div><div>Now I changed the fragment (changed its phi and psi externally) and want to calculate the RSR [real-space R -factor] for the model based on the old density (to check if I have made things worse or not).</div>
<div><br></div><div>how can I go about this? I tried using phenix.refine couldn't get it to work.</div><div><br></div><div>I have attached the MTZ fragment, the original PDB fragment and the modified PDB fragment.</div>
<div>native: nativeFragment.pdb</div><div>model: modelledFragment.pdb</div><div>MTZ: cut_out_density.MTZ</div><div><br></div><div>(I can see mine is worse but I want to quantify that "badness")</div><div><br></div>
<div><br></div><div><br></div><div>Thank you,</div><div>George</div></div>