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Re: [ccp4bb] Understanding Conformational Differences
- Protein crystallography

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Re: Unexplained density
From: W H william {- dot -} c {- dot -} m {- dot -} h {- at -} GMAIL {- dot -} COM
Date: 2010-04-30		Next message:
Subject: Re: Unexplained density
From: Xianhui Wu wuxianhui {- at -} GMAIL {- dot -} COM
Date: 2010-04-30


Subject: Re: Understanding Conformational Differences
From: Eric Pettersen pett {- at -} CGL {- dot -} UCSF {- dot -} EDU
Date: 2010-04-30

> Date: Thu, 29 Apr 2010 12:18:38 -0500
> From: Jacob Keller
> Subject: Understanding Conformational Differences
>
> Dear Crystallographers,
>
> I am looking at ~20 unique crystal structures of the same protein in
> somewhat different conformations, although not radically different,
> and
> would like to order them somehow to gain an understanding of how the
> protein
> can move. Is there software that does this somewhat automatically?

Hi Jacob,
You can morph between multiple conformations of similar or identical
structures with UCSF Chimera's Morph Conformations tool (http://www.cgl.ucsf.edu/chimera/current/docs/ContributedSoftware/morph/morph.html
). Chimera can also cluster structure conformations (identical
structures only) with its Ensemble Cluster tool (http://www.cgl.ucsf.edu/chimera/current/docs/ContributedSoftware/ensemblecluster/ensemblecluster.html
). That tool can also select representative conformers for each
cluster.
More information about Chimera and a download link can be found on
the Chimera home page: http://www.cgl.ucsf.edu/chimera

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999
Previous message:
Subject: Re: Unexplained density
From: W H william {- dot -} c {- dot -} m {- dot -} h {- at -} GMAIL {- dot -} COM
Date: 2010-04-30		Next message:
Subject: Re: Unexplained density
From: Xianhui Wu wuxianhui {- at -} GMAIL {- dot -} COM
Date: 2010-04-30
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