Re: [ccp4bb] Refining residues as rigid bodies

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: methews coefficient and validation of 60mer
From: Pankaj Chauhan pankajimtech {- at -} GMAIL {- dot -} COM
Date: 2009-12-02

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Subject: Re: methews coefficient and validation of 60mer
From: Martyn Winn martyn {- dot -} winn {- at -} STFC {- dot -} AC {- dot -} UK
Date: 2009-12-02

Subject: Re: Refining residues as rigid bodies
From: Frederic VELLIEUX frederic {- dot -} vellieux {- at -} ORANGE {- dot -} FR
Date: 2009-12-02

Dear Bulletin Board,

I received this information from Axel Bruenger, who rightly corrected me on the modification to be made to the bindividual.inp file:

>As an fyi, the sigmas should be made smaller to get a narrower B-factor
>differences.

My previous post:

> You modify the file bindividual.inp
>
> This section:
> {* target sigma values for restrained B-factor refinement *}
>
> {* mainchain bonds *}
> {===>} bsig_main=1.5;
> {* mainchain angles *}
> {===>} asig_main=2.0;
>
> {* sidechain bonds *}
> {===>} bsig_side=2.0;
> {* sidechain angles *}
> {===>} asig_side=2.5;
>
> I cannot remember in which direction the values have to go. I think up.

So the values have to go down. The precise values I used are somewhere on a DAT tape and we have no DAT reader here anymore...

Fred.

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: methews coefficient and validation of 60mer
From: Pankaj Chauhan pankajimtech {- at -} GMAIL {- dot -} COM
Date: 2009-12-02

Next message:
Subject: Re: methews coefficient and validation of 60mer
From: Martyn Winn martyn {- dot -} winn {- at -} STFC {- dot -} AC {- dot -} UK
Date: 2009-12-02