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Re: [ccp4bb] convert .cif to .mtz
 

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CCP4bb <-- 2008 <-- January 2008 <-- 29 January 2008
Previous message:
Subject: Lipid not restrained during ShelX refinement
From: "Neutze Gp {- dot -} CCP4ibb account" ccp4ibb {- at -} GMAIL {- dot -} COM
Date: 2008-01-29 		Next message:
Subject: Re: convert .cif to .mtz
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-29


Subject: Re: convert .cif to .mtz
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-01-29
The GUI actually is a quite convenient way. In my experience, however, the
GUI or the program called by the GUI does not check whether the cif
contains intensities or amplitudes. So you can use the GUI, look at the
script it generates and adjust it according to the header in your cif.

Tim

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

GPG Key ID = A46BEE1A


On Tue, 29 Jan 2008, Kristof Van Hecke wrote:

> Dear all,
>
> I'm looking for a convenient way of converting a .cif structure factor file
> (from PDB) to a map-file (e.g. .mtz) to open with COOT for example..?
> Already tried ccp4i with 'Convert to/modify/extend MTZ', but got a bunch of
> errors when opening with coot..
>
> Many thanks
>
> Kristof
> --------------------------------------
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> Biomoleculaire Architectuur
> Celestijnenlaan 200 F
> B-3001 Heverlee (Leuven)
> Tel: +32(0)16327477
> --------------------------------------
>
>
>
>
>
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CCP4bb navigation

CCP4bb <-- 2008 <-- January 2008 <-- 29 January 2008
Previous message:
Subject: Lipid not restrained during ShelX refinement
From: "Neutze Gp {- dot -} CCP4ibb account" ccp4ibb {- at -} GMAIL {- dot -} COM
Date: 2008-01-29 		Next message:
Subject: Re: convert .cif to .mtz
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-29


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