Re: [ccp4bb] .phs file conversion

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

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Subject: MAX-lab beamtime Deadline March 20th 2009
From: Thomas Ursby thomas {- dot -} ursby {- at -} MAXLAB {- dot -} LU {- dot -} SE
Date: 2009-03-05

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Subject: Re: .phs file conversion
From: Bram Schierbeek bram {- dot -} schierbeek {- at -} BRUKER-AXS {- dot -} NL
Date: 2009-03-05

Subject: Re: .phs file conversion
From: Graeme Winter graeme {- dot -} winter {- at -} GOOGLEMAIL {- dot -} COM
Date: 2009-03-05

Hi Folks,

There is also convert2mtz which can be found in more recent CCP4
distributions. If you type convert2mtz it will give you details on
what is needed.

A couple of caveats with this:

- you need to quite the cell constants i.e. 'a b c alpha beta gamma'
- the spacegroup has to be written correctly, i.e. 'P 43 21 2' is
interpreted correctly, P43212 is interpreted as P1.

I find this very helpful for inspecting and using maps from shelxe.

Cheers,

Graeme

2009/3/5 tommi kajander :
> hi, i didnt notice anyone mention phs2mtz
> can be found here at least:
>
> http://schneider.group.ifom-ieo-campus.it/hkl2map/index.html
>
> -tommi
>
> On 4.3.2009, at 23.24, Bart Hazes wrote:
>
>> SFTOOLS should read the phs file and allow you to write it out in a number
>> of different formats, including MTZ.
>>
>> From the command line type:
>>
>> sftools
>> read yourfile.phs
>> write yourfile.mtz
>> quit
>>
>> The program will ask a bunch of questions to get space group, unit cell
>> etc.
>>
>> Bart
>>
>> John Bruning wrote:
>>>
>>> Hi,
>>> I have a .phs file with map coefficients that I would like to open in
>>> pymol. So, I would like to convert the file to either a ccp4 or cns map
>>> file, or a file format that pymol will recognize. I do not have an .mtz
>>> file with the same map coefficients included. Can anyone help me?
>>> Thanks,
>>> John
>>
>
> Tommi Kajander, Ph.D.
> Macromolecular X-ray Crystallography
> Research Program in Structural Biology and Biophysics
> Institute of Biotechnology
> P.O. Box 65 (Street: Viikinkaari 1, 4th floor)
> University of Helsinki
> FIN-00014 Helsinki, Finland
> Tel. +358-9-191 58903
> Fax +358-9-191 59940
>

CCP4bb navigation

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

Previous message:
Subject: MAX-lab beamtime Deadline March 20th 2009
From: Thomas Ursby thomas {- dot -} ursby {- at -} MAXLAB {- dot -} LU {- dot -} SE
Date: 2009-03-05

Next message:
Subject: Re: .phs file conversion
From: Bram Schierbeek bram {- dot -} schierbeek {- at -} BRUKER-AXS {- dot -} NL
Date: 2009-03-05