Re: [ccp4bb] Fw: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4 format

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

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Subject: Re: CCP4 - Monomer library sketecher
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-06-18

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From: Philippe DUMAS p {- dot -} dumas {- at -} IBMC {- dot -} U-STRASBG {- dot -} FR
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Subject: Re: Fw: conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4 format
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-06-18

Is COOT complaining because the SHELX output "PDB" has no spacegroup?
If you run pdbset xyzin shelx.pdb xyzout shelx1.pdb
SPAC "P21" ( say)
end

it will add the SG to the CRYST1 card
Eleanor

Eleanor
Paul Emsley 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.
>>>
>
> Coot does indeed make 2mFo-DFc and mFo-DFc maps (it's actually the
> clipper libs that do the heavy lifting). Coot uses only the .fcf file
> (not any pdb files) to do this.
>
>
>> It seems to me
>>
>>> COOT only generate Fo and Fo-Fc maps when the fcf file is loaded. Is this
>>> correct?
>>>
>
> That may well be correct if you are not using a modern version of Coot.
>
> Paul.
>
>
>

CCP4bb navigation

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

Previous message:
Subject: Re: CCP4 - Monomer library sketecher
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-06-18

Next message:
Subject: Post-doc position
From: Philippe DUMAS p {- dot -} dumas {- at -} IBMC {- dot -} U-STRASBG {- dot -} FR
Date: 2007-06-18