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"
<[EMAIL PROTECTED]>
To: <[email protected]>
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
