<div dir="ltr">To change the occupancy you can:<div><br></div><div>1) edit the pdb file in your text editor of choice; </div><div>- or -</div><div>2) in coot, click "measures" > "residue info" > click on the metal > set occupancy to 0.5. </div><div><br></div><div>Note that in phenix.refine, you may want to <b>fix</b> the occupancy to 0.5 (as it sounds like the metal ion is on/near a crystallographic axis).</div><div><br></div><div>This can be done (via the GUI) in the refinement settings tab > modify selection for [occupancies], and then define the metal ion in the "Fix Occupancies" section. </div><div><br></div><div>HTH,</div><div><br></div><div>Dave</div><div><div><br></div><div><br></div></div></div><br><div class="gmail_quote"><div dir="ltr">On Fri, 8 Jul 2016 at 12:47 Sharan Karade <<a href="mailto:sharankarade@gmail.com">sharankarade@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Dear all,<br><br></div><div style="text-align:left"> I am refining the protein structure and i want add metal ion in the structure, the site is present in between protein chain and its symmetry mate. when i added metal and refined, it was showing the high B factor and symmetry related metal on the same site. i want to assign the occupancy half and refine but in coot i am unable to do. Is there any method to do this.<br><br></div><div style="text-align:left">Thanks in Advance<br clear="all"></div><div><div><div style="text-align:left"><br>-- <br></div><div data-smartmail="gmail_signature">Sharan<br>C/O Dr. J V Pratap<br>Senior Research Fellow,<br>CSIR-Central Drug Research Institute,<br>Lucknow<br><br></div><div data-smartmail="gmail_signature"><br></div><div data-smartmail="gmail_signature"><br></div>
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