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	<title>Comments on: CNS: Create a Composite Omit Map</title>
	<atom:link href="http://www.P212121.com/2010/02/05/cns-create-a-composite-omit-map/feed/" rel="self" type="application/rss+xml" />
	<link>http://www.P212121.com/2010/02/05/cns-create-a-composite-omit-map/</link>
	<description>Protein Crystallography there is an Easier Way</description>
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		<title>By: Nat</title>
		<link>http://www.P212121.com/2010/02/05/cns-create-a-composite-omit-map/comment-page-1/#comment-1727</link>
		<dc:creator>Nat</dc:creator>
		<pubDate>Fri, 12 Feb 2010 20:42:17 +0000</pubDate>
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		<description>AaronB,

I&#039;m not sure what the practical result of turning off bulk-solvent correction in Phenix is, but it&#039;s almost always a bad idea.  The affected reflections are low-resolution and thus usually high-amplitude, and messing with these can have a huge effect on map quality.  (This is one reason why overloads are bad.)  Phenix calculates the mask automatically; I&#039;m not sure what CNS does, but the image above implies that it needs separate input.  It&#039;s been so long since I&#039;ve used CNS that I can&#039;t remember what I used to do for this procedure (I modified the scripts by hand, anyway), but I never used separate mask files.  Omit maps are always noisier, but for a well-refined structure, the CNS composite omit map usually won&#039;t disagree with the maps from refinement.</description>
		<content:encoded><![CDATA[<p>AaronB,</p>
<p>I&#8217;m not sure what the practical result of turning off bulk-solvent correction in Phenix is, but it&#8217;s almost always a bad idea.  The affected reflections are low-resolution and thus usually high-amplitude, and messing with these can have a huge effect on map quality.  (This is one reason why overloads are bad.)  Phenix calculates the mask automatically; I&#8217;m not sure what CNS does, but the image above implies that it needs separate input.  It&#8217;s been so long since I&#8217;ve used CNS that I can&#8217;t remember what I used to do for this procedure (I modified the scripts by hand, anyway), but I never used separate mask files.  Omit maps are always noisier, but for a well-refined structure, the CNS composite omit map usually won&#8217;t disagree with the maps from refinement.</p>
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		<title>By: Sean</title>
		<link>http://www.P212121.com/2010/02/05/cns-create-a-composite-omit-map/comment-page-1/#comment-1718</link>
		<dc:creator>Sean</dc:creator>
		<pubDate>Thu, 11 Feb 2010 05:27:58 +0000</pubDate>
		<guid isPermaLink="false">http://www.P212121.com/?p=9514#comment-1718</guid>
		<description>Hi AaronB,

Warm welcome!  

If your map is nearly traceable then it sounds like you are on the right track.  Thanks for the reference on &lt;a href=&quot;http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2424225/pdf/d-64-00515.pdf&quot; rel=&quot;nofollow&quot;&gt;Iterative omit maps&lt;/a&gt; - good read.</description>
		<content:encoded><![CDATA[<p>Hi AaronB,</p>
<p>Warm welcome!  </p>
<p>If your map is nearly traceable then it sounds like you are on the right track.  Thanks for the reference on <a href="http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2424225/pdf/d-64-00515.pdf" rel="nofollow">Iterative omit maps</a> &#8211; good read.</p>
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	<item>
		<title>By: AaronB</title>
		<link>http://www.P212121.com/2010/02/05/cns-create-a-composite-omit-map/comment-page-1/#comment-1716</link>
		<dc:creator>AaronB</dc:creator>
		<pubDate>Thu, 11 Feb 2010 02:28:31 +0000</pubDate>
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		<description>Hello Sean, thanks for this great site... I am a regular but so far quiet viewer. 

I had a question about when you set the bulk solvent correction to false... will the result in your omit map be very noisy density between NCS mates?

The reason I ask is because I performed a simple sigma weighted omit map via phenix on a troublesome structure, and the resulting map gave me very &quot;inflated&quot; density, and the areas around the different chains that make up my structure were very noisy, what looks to be solvent. However I was excited because the omit map appears to be traceable to some extent.

One last thing, I did start a run on a iterative composite omit map after reading Terwilliger et al paper:  
Iterative build OMIT maps: Map improvement by iterative
model-building and refinement without model bias

Hopefully this will result in a more interpretable map.</description>
		<content:encoded><![CDATA[<p>Hello Sean, thanks for this great site&#8230; I am a regular but so far quiet viewer. </p>
<p>I had a question about when you set the bulk solvent correction to false&#8230; will the result in your omit map be very noisy density between NCS mates?</p>
<p>The reason I ask is because I performed a simple sigma weighted omit map via phenix on a troublesome structure, and the resulting map gave me very &#8220;inflated&#8221; density, and the areas around the different chains that make up my structure were very noisy, what looks to be solvent. However I was excited because the omit map appears to be traceable to some extent.</p>
<p>One last thing, I did start a run on a iterative composite omit map after reading Terwilliger et al paper:<br />
Iterative build OMIT maps: Map improvement by iterative<br />
model-building and refinement without model bias</p>
<p>Hopefully this will result in a more interpretable map.</p>
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