<div dir="ltr"><div><div>Hi Pavel, Thanks! Such maps can definitely be helpful, I calculate them quite often - to identify bound ligands it is certainly helpful, or to highlight regions of the model that have poor fit to the map, similar to their use in crystallography.<br><br></div>Cheers,<br></div>Oliver.<br><div><div><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Mar 15, 2016 at 12:47 PM, Pavel Afonine <span dir="ltr"><<a 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 Oliver,<br>
<br>
why not.. I think we can compute map from model and then subtract it from the experimental input map (after scaling them somehow).<br>
<br>
No I did not have that plan because it wasn't clear to me how such map can be helpful (especially since we don't do best possible job on B factor refinement).<br>
<br>
I will add this option.<span class="HOEnZb"><font color="#888888"><br>
<br>
Pavel</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
On 3/15/16 10:25, Oliver Clarke wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hello,<br>
<br>
is there any possibility of (or current plan for) including the capacity in a future PHENIX release to calculate a residual map automatically after phenix.real_space refine, (i.e. simulating a map from the model incorporating corrections for B-factor variation and calculating a difference map with the experimental map)? This would be very convenient when building into EM maps.<br>
<br>
Cheers,<br>
Oli<br>
</blockquote>
<br>
</div></div></blockquote></div><br></div>