On Tue, Nov 20, 2012 at 3:29 AM, Mikalai Lapkouski <span dir="ltr"><<a href="mailto:gort105@gmail.com" target="_blank">gort105@gmail.com</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I tried to set the occupancy for those atoms 0.8 and refine individually. But obviously occupancies for those atoms are individually refined to different values which I dont think is the right way. Is there a way of how to refine occupancies for those atoms so that they remain identical after refinement (say all have 0.6)?</blockquote>
<div><br></div><div>I'm a little surprised that the atoms within a residue aren't already constrained to be the same occupancy, but that may only apply if they're labeled as an alternate conformer. �But I think all you need to do this is to define them as a constrained group, as described here:</div>
<div><br></div><div><a href="https://www.phenix-online.org/version_docs/dev-1218/refinement.htm#anch111">https://www.phenix-online.org/version_docs/dev-1218/refinement.htm#anch111</a></div><div><br></div><div>(scroll down to Example 4 for the messy details.) �If you're using the GUI, you can find the relevant controls by selecting "Occupancy" from the menu labeled "Modify atom selections for" below the strategy choices.</div>
<div><br></div><div>-Nat</div></div>