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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal><span style='font-family:"Arial","sans-serif"'>Hi All,<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Arial","sans-serif"'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Arial","sans-serif"'>I’m refining a structure (dev-1726) that contains 24 protein subunits which are assigned to chains A-X in the PDB file. Chains Y and Z are assigned to a couple of ligands and the ordered solvent molecules are chain w (lower case). I decided to give the “Update waters” option a try during refinement but it seems that the chain ID of the ordered solvent is changed to chain S by default. Since I already have a protein subunit assigned to chain S, the following error is obtained when I try to open the model in Coot (ERROR 39 READ: Duplicate sequence number and insertion code.). To enable visualization of the model in Coot, I can of course manually change the chain ID for the ordered solvent in the output PDB file using a text editor. However, is there a way to override the ordered solvent default chain ID in Phenix to prevent duplication?<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Arial","sans-serif"'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-family:"Arial","sans-serif"'>Thanks,<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Arial","sans-serif"'>Scott<o:p></o:p></span></p><p class=MsoNormal><span style='font-family:"Arial","sans-serif"'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>__________________________________<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Scott Lovell Ph.D., Director<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Protein Structure Laboratory<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>University of Kansas<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Arial","sans-serif"'>Del Shankel Structural Biology Center<o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>