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

2007-06-18 Thread Eleanor Dodson

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] Post-doc position

2007-06-18 Thread Philippe DUMAS
Postdoc position in Protein-RNA crystallography

A postdoc position is available in the group of crystallography headed by P.
Dumas in the laboratory RNA Architecture and Reactivity at IBMC,
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(diverted from the infected cell), (2) a fragment of the viral RNA and (3)
the viral retrotranscriptase (RT). The formation of this ternary complex is
a key step in the viral replication cycle since it occurs early and involves
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The structural work will benefit strongly of a large body of previous
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Qualification: The candidate should have a PhD with a background in RNA
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[EMAIL PROTECTED]



Philippe Dumas
IBMC-CNRS, UPR9002
15, rue René Descartes 67084 Strasbourg cedex
tel: +33 (0)3 88 41 70 02
[EMAIL PROTECTED]


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

2007-06-18 Thread deliang chen

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: CCP4BB@JISCMAIL.AC.UK
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





[ccp4bb] libstdc++.so.5: cannot open shared object file: No such file or directory

2007-06-18 Thread Paul Kraft
Hiys,
I've got an hp pavillion dv2000 with a 64x2 processor and I loaded the redhat 
version of CCP4-6.0.2. I tried loading it manually but there was no configure 
or make files, so I went for the ./install.sh and ran the run-all on the 
/examples/ and got the error libstdc++.so.5: cannot open shared object file: 
No such file or directory for pretty much all of the progrrams. I know this is 
a library problem I've seen before but can't remember how to fix it. Your help 
would be appreciated.
Thanks,
Paul


Dr. Paul Kraft
Structural Biology Research Associate
Dept. Biochemistry and Molecular Biology
Laboratory of Dr. Barry Rosen
Wayne State University School of Medicine
540 E. Canfield St.
Detroit MI 48201 USA
Ph: 313-577-0618 (Lab)
fx: 313-577 2765
email: [EMAIL PROTECTED]
   
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