From: "George M. Sheldrick"
<[EMAIL PROTECTED]>
To:
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. T
t;George M. Sheldrick" <[EMAIL PROTECTED]>
To:
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
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
> > 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
.
deliang
- Original Message -
From: "George M. Sheldrick" <[EMAIL PROTECTED]>
To:
Sent: Thursday, June 14, 2007 11:09 PM
Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4
format
For all normal purposes please read the .fcf file into C
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
- Original Message -
From: "deliang chen" <[EMAIL PROTECTED]>
To: "George M. Sheldrick" <[EMAIL PROTECTED]>
Sent: Friday, June 15, 2007 12:57 PM
Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4
format
Thanks George,
Yes,
gt; Date: Thu, 14 Jun 2007 17:29:19 -0700
> > From: [EMAIL PROTECTED]
> > Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of
> > ccp4 format
> > To: CCP4BB@JISCMAIL.AC.UK
> >
> > Hi Inari,
> > I just tried 2Fo-Fc map generated from fcf
error.
sam
> Date: Thu, 14 Jun 2007 17:29:19 -0700
> From: [EMAIL PROTECTED]
> Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4
> format
> To: CCP4BB@JISCMAIL.AC.UK
>
> Hi Inari,
> I just tried 2Fo-Fc map genera
Inari Kursula
To: U Sam
Cc: deliang
Sent: Wednesday, June 13, 2007 11:12 PM
Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4
format
Dear Sam,
you can use shelxpro to calculate maps with different coefficients from your
.fcf file. Have never used these
-fc.map of ccp4 formatTo:
CCP4BB@JISCMAIL.AC.UK
- Original Message -
From: deliang
To: U
Sam
Sent: Wednesday, June 13, 2007 10:46 AM
Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map
of ccp4 format
Hi Sam,
I also have some similar questions . When I
- Original Message -
From: deliang
To: U Sam
Sent: Wednesday, June 13, 2007 10:46 AM
Subject: Re: [ccp4bb] conversion of .fcf to 2fo-fc.map and fo-fc.map of ccp4
format
Hi Sam,
I also have some similar questions . When I generate fcf file in shelx, it
seems no matter which FMAP
I suspect you can use the Reflection utilities
Convert to mtz
and ask for mmCIF input - this is meant to be mmCIF compliant.. I think?
Eleanor
U Sam wrote:
Hi
I would like to create ccp4 format 2fo-fc and fo-fc map from .fcf file
created in shelex.
I can load .fcf file in coot to see the ma
Hi I would like to create ccp4 format 2fo-fc and fo-fc map from .fcf file
created in shelex.I can load .fcf file in coot to see the map. But I want to
create map files manually by ccp4. I appreciate if anybody suggest the script
of CCP4 or CCP4i to make such map files.ThanksSam
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