Re: [ccp4bb] ccp4 pdb format

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CCP4bb <-- 2007 <-- March 2007 <-- 20 March 2007

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Subject: coot and stereochemistry
From: Laurent Maveyraud laurent {- dot -} maveyraud {- at -} IPBS {- dot -} FR
Date: 2007-03-20

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Subject: Re: coot and stereochemistry
From: Paul Emsley emsley {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-20

Subject: Re: ccp4 pdb format
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2007-03-20

You can run the pdb file through pdbset, supplying cell and spacegroup,
that's probably the quickest way to fix it.
Tim

--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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On Tue, 20 Mar 2007, yang li wrote:

> Hi:
> Now I need to input a heavy atom pdb file in the ccp4 interface, does
> ccp4 has a special format for all the programs in the package? I used
> heavy atom file from shelxd but it seemed not right. where can I get a
> model of such pdb file? Thanks!
>

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CCP4bb <-- 2007 <-- March 2007 <-- 20 March 2007

Previous message:
Subject: coot and stereochemistry
From: Laurent Maveyraud laurent {- dot -} maveyraud {- at -} IPBS {- dot -} FR
Date: 2007-03-20

Next message:
Subject: Re: coot and stereochemistry
From: Paul Emsley emsley {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-20