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Re: [ccp4bb] ADP variance restriction in phenix
 

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CCP4bb <-- 2008 <-- January 2008 <-- 30 January 2008
Previous message:
Subject: ADP variance restriction in phenix
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-01-30 		Next message:
Subject: Re: ADP variance restriction in phenix
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2008-01-30


Subject: Re: ADP variance restriction in phenix
From: Pavel Afonine pafonine {- at -} LBL {- dot -} GOV
Date: 2008-01-30
Hi Tim

use "wxu_scale" keyword for this. Making it less than the default value
will strengthen the ADP restraints and hence make ADP of adjacent atoms
more similar.

This is mentioned in the Manual although I admit is not too easy to
find. Look for "wxu_scale" in
http://www.phenix-online.org/documentation/refinement.htm
and you will find this among several hits.

Are you using TLS? How old is the version of PHENIX that you are using?

Cheers,
Pavel.


Tim Gruene wrote:
> -----BEGIN PGP SIGNED MESSAGE-----
> Hash: SHA1
>
> Good day,
>
> we are currently refining a 2.4 protein structure using phenix.refine.
>
> I would like to know how to reduce the adp-variance. We have jumps
> from 60 to 90 and back between adjacent residues and I do not like it.
>
> I scanned the documentation I found on the web but did not find what I
> was looking for.
>
> Cheers, Tim
>
> - --
> Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
>
> GPG Key ID = A46BEE1A
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CCP4bb navigation

CCP4bb <-- 2008 <-- January 2008 <-- 30 January 2008
Previous message:
Subject: ADP variance restriction in phenix
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-01-30 		Next message:
Subject: Re: ADP variance restriction in phenix
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2008-01-30


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