[sharp-discuss] Density modification

[Clemens Vonrhein]

Hi,

On Fri, Feb 03, 2006 at 12:47:06PM -0500, Yanming Zhang wrote:
> >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.
>  !!!!!  Version 3.2.3

Well, update to 3.4.0 then ... you get a lot of other goodies with it
too!

Cheers

Clemens

> >- Are you running this solvent content optimization as part of
> > autoSHARP or from the 'Phase Improvement and Interpretation panel'?
> !!!!  autoSHARP 
> >- 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?
> !!!! From Matthew coef. Most likely 2/a.u. 1/a.u possible
> >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 ...
> !!! Yes I input monomer sequence
> >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).
> !!!! Phase might be wrong because of the poor data and the poor difference 
> patterson.
> >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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> >>sharp-discuss at globalphasing.com
> >>http://www.globalphasing.com/mailman/listinfo/sharp-discuss
> >>
> >
> >-- 
> >
> >***************************************************************
> >* Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
> >*
> >*  Global Phasing Ltd.
> >*  Sheraton House, Castle Park
> >*  Cambridge CB3 0AX, UK
> >*--------------------------------------------------------------
> >* BUSTER Development Group      (http://www.globalphasing.com)
> >***************************************************************
> >
> 

-- 

***************************************************************
* Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
*
*  Global Phasing Ltd.
*  Sheraton House, Castle Park 
*  Cambridge CB3 0AX, UK
*--------------------------------------------------------------
* BUSTER Development Group      (http://www.globalphasing.com)
***************************************************************