Re: [ccp4bb] convert .cif to .mtz

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CCP4bb <-- 2008 <-- January 2008 <-- 29 January 2008

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Subject: Re: convert .cif to .mtz
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-01-29

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Subject: Re: convert .cif to .mtz
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-01-29

Subject: Re: convert .cif to .mtz
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-29

It has just worked for me?

convert to mtz
file type mmCIF

then I had to put in my own cell and spacegroup.

And I will have to calculate phases before I can use coot with it..
Eleanor

Eleanor

It looks like this..

#
_audit.revision_id 1_0
_audit.creation_date 2005-03-22
_audit.update_record 'Initial release'
#
loop_
_refln.wavelength_id
_refln.crystal_id
_refln.index_h
_refln.index_k
_refln.index_l
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.status
1 1 0 0 -51 0.0 0.00 0
1 1 1 0 -51 0.0 0.00 0
1 1 4 0 -51 0.0 0.00 0
1 1 0 1 -51 0.0 0.00 0
1 1 1 1 -51 0.0 0.00 0
1 1 2 1 -51 0.0 0.00 0
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
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> B-3001 Heverlee (Leuven)
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CCP4bb <-- 2008 <-- January 2008 <-- 29 January 2008

Previous message:
Subject: Re: convert .cif to .mtz
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-01-29

Next message:
Subject: Re: convert .cif to .mtz
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-01-29