Coot has an expert mode which allows you to customise your FFT to some
extent - you will need to turn the fcf file into an mtz file, but that
is easy.. ( See reflection utilities)
And then you can use the great flexibility of the FFT routines to
generate a map to read into COOT.
Eleanor
deliang chen wrote:
> Thanks George,
>
> So I wonder whether I can choose to generate different maps to look
> during refinement in COOT? In MIFit program, it is very easy to do
> this, but I just don't like the interface of MIFit, still loving COOT
> so much.
>
> deliang
>
>
> ----- Original Message ----- From: "George M. Sheldrick"
> <[log in to unmask]>
> To: <[log in to unmask]>
> Sent: Friday, June 15, 2007 1:58 PM
> Subject: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of
> ccp4 format
>
>
>> I understand that when Coot reads the .fcf file it makes SigmaA weighted
>> maps, i.e. 2mFo-DFc and mFo-DFc. These are the maps you should
>> usually be
>> looking at during the refinement.
>>
>> George
>>
>> Prof. George M. Sheldrick FRS
>> Dept. Structural Chemistry,
>> University of Goettingen,
>> Tammannstr. 4,
>> D37077 Goettingen, Germany
>> Tel. +49-551-39-3021 or -3068
>> Fax. +49-551-39-2582
>>
>>
>> On Fri, 15 Jun 2007, deliang chen wrote:
>>
>>> Thanks George,
>>>
>>> Yes, COOT can open fcf.file and make beautiful maps. But I don't
>>> know whether
>>> COOT can generate different Fourier type maps like 2Fo-Fc, mFo-DFc, etc
>>> according to the fcf and pdb files I input. It seems to me COOT only
>>> generate
>>> Fo and Fo-Fc maps when the fcf file is loaded. Is this correct?
>>>
>>> many thanks.
>>>
>>> Deliang
>>>
>>
>
>
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