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: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2008-01-29

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Subject: Re: convert .cif to .mtz
From: Gerard DVD Kleywegt gerard {- at -} XRAY {- dot -} BMC {- dot -} UU {- dot -} SE
Date: 2008-01-29

Subject: Re: convert .cif to .mtz
From: Sue Roberts suer {- at -} EMAIL {- dot -} ARIZONA {- dot -} EDU
Date: 2008-01-29

In recent coots, (This is 0.4.1, kendall, on a mac or linux) you no
longer need to calculate fcalc and phases. If you choose auto open
mtz and have at least one pdb file open, coot will ask you which pdb
file to use to calculate fcalc and phases. (I guess it runs refmac
then) and, voila, the maps are displayed.

Sue

On Jan 29, 2008, at 8:37 AM, Eleanor Dodson wrote:

> 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
>> --------------------------------------
>> Kristof Van Hecke, PhD
>> Biomoleculaire Architectuur
>> Celestijnenlaan 200 F
>> B-3001 Heverlee (Leuven)
>> Tel: +32(0)16327477
>> --------------------------------------
>>
>>
>>
>>
>>
>> Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
>>
>>
>

Sue Roberts
Biochemistry & Biophysics
University of Arizona

suer@email.arizona.edu

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

Previous 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

Next message:
Subject: Re: convert .cif to .mtz
From: Gerard DVD Kleywegt gerard {- at -} XRAY {- dot -} BMC {- dot -} UU {- dot -} SE
Date: 2008-01-29