Re: [ccp4bb]: Defaults in RANTAN

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Frank von Delft wrote:
> 
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> Dear all
> 
> I'm interested in using RANTAN to solve a selenium substructure.  It's not
> a straightforward problem, so I want to fiddle with the weighting of the
> three figures of merit, which is used to select the correct solution.
> 
> It's the middle one I'm curious about, Psi-zero, which apparently uses
> triplets which contain a small E-value.  Do these mean anything when
> working with Bijoet differences for an anomalous substructure?  So should
> I downweight Psi-zero's contribution to the overall FOM?  The default is
> 0.4, but it seemed that I should set it a lot lower.
> 
> Thanks for any advice
> Frank


 I think if you are using the interface this happens automatically..

If you are using Bjivet diffs Psi_zero is meaningless and should be
weighted down, but if you have estinmed FA from REVISE then it does have
some value.
 Eleanor Dodson 
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Eleanor J.Dodson, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 44 49, work:  +44 (1904) 43 25 65
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