[sharp-discuss] Density modification

[Clemens Vonrhein]

Dear Yanming,

are you sure that you are running the latest version of
SHARP/autoSHARP? I thought I'd fixed the problem of running into too
large/low solvent content values. Please check the head of your
LISTautoSHARP.html file(s) to see if it says 3.4.0.

- Are you running this solvent content optimization as part of
  autoSHARP or from the 'Phase Improvement and Interpretation panel'?

- What do you know about the actual solvent content of your crystal?
  Do you have biochemical data for it being a dimer/monomer/tetramer
  etc?

I would give autoSHARP always the sequence of a monomer - it usually
finds out a reasonable good estimate of number of molecules
etc. Especially if you run it in 'accurate' mode ...

Obviously, all this density modifcation (and solvent content
optimization) depends on some correct phases to start with: so always
check that you get a significant difference in statistics for the two
hands (in autoSHARP).

Hope that helps

Cheers

Clemens


On Thu, Feb 02, 2006 at 04:22:19PM -0500, Yanming Zhang wrote:
> 
> Hi,
> 
> Any one can help me:
> 
> After density modification I have the out put:
> 
>  2.1 Running initial Solvent Flattening
> 
> 
>       2.1.1 Using solvent content 78.5 %
>    (details)
> 
>  NOTE    : Correlation on E**2 = 0.6497
> 
> 
>       2.1.2 Using solvent content 80.5 %
>    (details)
> 
>  NOTE    : Correlation on E**2 = 0.6481
> 
> 
> 
>    2.2 Running additional Solvent Flattening
> 
>  NOTE    : optimal solvent content should be 0.0 %
> 
> 
> 
>    2.3 Running final round of Solvent Flattening (0.0 %)
> 
>    (details)
> 
>  NOTE    : Correlation on E**2 = 0.9610
> ------------------------------------------------------------------
> >From the out put my final round of DM set the optimal solvent content 
> 0.0 % How and why?
> 
> Thanks!
> Yanming
> 
> 
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> 

-- 

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