[sharp-discuss] DM output cards

Clemens Vonrhein vonrhein at globalphasing.com
Tue Apr 10 07:43:48 BST 2007


Dear Yi,

use FPsha, SIGFPsha and as phase restraints HLA-HLD. Always use
Hendrickson-Lattmann coefficients as experimental phase information -
and use the pure SHARP phases, not some phases from density
modification (which will be overestimated).

As Kevin said: the information is a 'bit' burried ...

Cheers

Clemens

On Mon, Apr 09, 2007 at 01:45:59PM -0500, Yi Xue wrote:
> Dear all:
> 
>        Sorry for the stupid question.  I am new to sharp/autosharp. I ran a
> heavy atom refinment job in autosharp, and feed the refined heavy atom sites
> into the DM in sharp. The heavy atom sites are present in the crystals as
> cofactors, not derivatives. The output eden_flat_##.#pc.mtz contains a lot
> of F*, PHI* cards.  My next step is to start the restrained refinement, I am
> a little confused which Fp, sigma, and Phi, FOM should I input?
> 
> Here is the whole list of the cards:
> 
> H K L Fcentsha PHIcentsha FOMsha HLA HLB HLC HLD FHsha PHIHsha FreeR_flag
> FPsha SIGFPsha Fcentshasol PHIcentshasol FBshasol PHIBshasol PHIshasol
> FOMshasol FCshasol PHICshasol PHIdm FOMdm Fdm HLAdm HLBdm HLCdm HLDdm
> 
> I would appreciate if anyone could help to give me some ideas about what are
> the differences between F* cards, or send me some links for explanations of
> them.
> 
> Best
> Yi
> 
> 
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