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Geometry restraints do not care about occupancies.<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 2/18/16 11:30, Alejandro Virrueta
wrote:<br>
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<blockquote
cite="mid:CAA5EDMQjKCe3intZGSJ-3mLAuUvA+VBMG-KyOKsSjPjjQF0-tA@mail.gmail.com"
type="cite">
<div dir="ltr">So why are <span style="font-size:12.8px">geometry
restraints imposed on multiple conformers but not a single
conformation, with both having atoms set to 0 occupancy?</span></div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Thu, Feb 18, 2016 at 2:09 PM, Pavel
Afonine <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Hi
Alejandro,<span class=""><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
I just tried phenix.maps, and it yields substantially
different difference maps than those obtained through my
refinement process.<br>
</blockquote>
<br>
</span>
not surprising at all because phenix.refine changes the
model and phenix.maps uses input model as is to compute
maps!<span class=""><br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
Are there any other techniques or parameters I can
modify to make residues with multiple conformations
'invisible' to phenix.refine, in addition/besides set
occupancies to 0 or deleting the residue form the pdb
file?<br>
</blockquote>
<br>
</span>
No. They will be always visible to geometry restraints.<span
class="HOEnZb"><font color="#888888"><br>
<br>
Pavel<br>
<br>
<br>
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