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On Tue, 8 Aug 2006, pengpeng hao wrote:
> Dear All
>
> I got a trouble!!!
>
> I have read the message 'how to convert CNS density modified file to mtz
> forarp/warp' from ccp4bb, it is quite useful, and now I have successfully
> convert .hkl to .mtz.(the method I used is SAD)
>
> But when I do auto-build in the ARP, I got trouble!
>
> in the ARP, there are 4 labels: 'Fobs, Sigma, PHIB, FOM'.
> But in my .mtz file I cannt find 'Sigma', and when I run the program, I was
> told that the label of 'Sigma' should be added. So could you tell me what
> should I do and where I can find 'Sigma'? (I can't find standard deviation at
> .hkl file coming from density modification as well)
>
> Thank you very much!!!
>
> Best
> Hao
In case you do not have an initial mtz file somewhere with the Sigma
(standard deviation) values --- to be merged with your current file
assuming that the relative scale factor has been maintained --- then you
can easily compute 'fake' Sigma values as Sigma = 0.1 * Fobs.
Easily done using e.g. Bart Hazes's sftools.
The resulting values will suit most needs.
Fred.
--
s-mail: F.M.D. Vellieux (B.Sc., Ph.D.)
Institut de Biologie Structurale J.-P. Ebel CEA CNRS UJF
41 rue Jules Horowitz
38027 Grenoble Cedex 01
France
Tel: (+33) (0) 438789605
Fax: (+33) (0) 438785494
e-mail: [EMAIL PROTECTED]
