Re: [ccp4bb] Refmac specific questions

- Protein crystallography

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

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Subject: Refmac specific questions
From: Partha Chakrabarti ppchak {- at -} GMAIL {- dot -} COM
Date: 2009-06-05

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Subject: Re: Refmac specific questions
From: junfeng liu jliu {- at -} NIMR {- dot -} MRC {- dot -} AC {- dot -} UK
Date: 2009-06-05

Hi Partha,
It should be depended on the input model :

MIXEd
Some atoms with isotropic, some with anisotropic B-values. In this
case input file (PDB) defines which atom should be refined
isotropicly and which anisotropicly. The atoms with ANISOU card are
refined anisotropicly.
ta
leo

Partha Chakrabarti wrote:
> Hi,
>
> Sorry to sound stupid, could someone explain what does refmac do if
> one chooses "mixed (bref MIXED)" or "overall (bref OVER)" B factor
> refinement in the context of TLS refinement?
>
> Is it something like: Isotropic for the main chain and/or waters and
> anisotropic for the side chain?
>
> Regards, Partha
>
>
>
>
> --
> MRC National Institute for Medical Research
> Division of Molecular Structure
> The Ridgeway, NW7 1AA, UK
> Email: pchakra@nimr.mrc.ac.uk
> Phone: + 44 208 816 2515

CCP4bb navigation

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

Previous message:
Subject: Refmac specific questions
From: Partha Chakrabarti ppchak {- at -} GMAIL {- dot -} COM
Date: 2009-06-05

Next message:
Subject: Re: images
From: Sean Seaver sean {- at -} P212121 {- dot -} COM
Date: 2009-06-05