<div dir="ltr">On Tue, Jul 22, 2014 at 7:35 AM, Morten Grøftehauge <span dir="ltr"><<a href="mailto:mortengroftehauge.work@gmail.com" target="_blank">mortengroftehauge.work@gmail.com</a>></span> wrote:<br><div class="gmail_extra">
<div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div dir="ltr"><div> you can use that as restraint (constraint? I can never remember the difference).</div>
</div></blockquote><div><br></div><div>See here: <a href="https://www.phenix-online.org/version_docs/1.9-1692">https://www.phenix-online.org/version_docs/1.9-1692</a>. Short version: restraints keep parameters similar (or moving together), effectively adding "observations"; constraints actually reduce the number of parameters. For example, the individual_sites and individual_adp strategies in phenix.refine use restraints (on geometry and ADP similarity), while the rigid_body and group_adp strategies use constraints (treating groups of atoms collectively).</div>
<div><br></div><div>So yes, "restraint" is the correct term for the reference model feature. But it's amazing how often I see the terms confused in methods sections!</div><div><br></div><div>-Nat</div></div>
</div></div>