Re: [ccp4bb] B factor calculation

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

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

Previous message:
Subject: B factor calculation
From: xu zhen xu7610 {- at -} HOTMAIL {- dot -} COM
Date: 2008-06-04

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Subject: Re: B factor calculation
From: Roger Rowlett rrowlett {- at -} MAIL {- dot -} COLGATE {- dot -} EDU
Date: 2008-06-04

Subject: Re: B factor calculation
From: Pavel Afonine PAfonine {- at -} LBL {- dot -} GOV
Date: 2008-06-04

For example,

this will show you complete statistics about B-factors:

phenix.pbdtools your_model.pdb --show-adp-statistics

this will show you complete statistics about stereochemistry:

phenix.pbdtools your_model.pdb --show-geometry-statistics

For more information:
http://www.phenix-online.org/

or ask me directly.

Cheers,
Pavel.

On 6/4/2008 12:40 PM, xu zhen wrote:
> Hi, everyone,
>
> I am preparing the table of data collection and refinement statics. In this table, I need to list the average B factor of protein, ligand and water seperately, can you tell me how to calculate thoes numbers?
>
> Zhen
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CCP4bb navigation

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

Previous message:
Subject: B factor calculation
From: xu zhen xu7610 {- at -} HOTMAIL {- dot -} COM
Date: 2008-06-04

Next message:
Subject: Re: B factor calculation
From: Roger Rowlett rrowlett {- at -} MAIL {- dot -} COLGATE {- dot -} EDU
Date: 2008-06-04