Re: [ccp4bb]: MR by CNS ---a silly solution

["Gerard \"DVD\" Kleywegt" <gerard@xray.bmc.uu.se>]

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> I checked my generate.inp; the oxygens in leu and terminal residual were 
> renamed correctly. So it may be different from julie's case.
> 
> In the model PDB file it can be seen that oxygens from 131 to 319 are all 
> from water molecules. They are exactly 'nonbonded' as reported. 
> 
> I deleted these atomic coordinates in the model PDB file and rerun 
> 'generate', 'cross_rotation' and 'translation'. These procedure were 
> successfully completed. In translaiton.list, a significant score: 0.17 is 
> higher than the rest, which are around 0.05. 
> 
> If these HOH oxygens must be taken in consideration, what's the bright 
> solution?
> 
> Yadong

errr, a "molecular replacement solution" is not one dissolved
in water ...

one doesn't usually include solvent entities etc. in molecular
replacement search models

--dvd

******************************************************************
                        Gerard J.  Kleywegt
    [Research Fellow of the Royal  Swedish Academy of Sciences]
Dept. of Cell & Molecular Biology  University of Uppsala
                Biomedical Centre  Box 596
                SE-751 24 Uppsala  SWEDEN

    http://xray.bmc.uu.se/gerard/  mailto:gerard@xray.bmc.uu.se
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