[sharp-discuss] SHARP to CNS

[Clemens Vonrhein]

Dear Akanksha,

if you want to use the SHARP experimental phases during structure
refinement, it is the Hendrickson-Lattmann coefficients you want to
take. You should take

  FP, SIGFP
  HLA, HLB, HLC, HLD

from eden.mtz or eden-unique.mtz (this latter also includes a set of
FreeR_flag values for distinguishing test and working set)

FBsha/PHIBsha from then eden_flat_*.mtz file together define the
centroid structure factor (amplitude and phase). So there is no sigma
value for this. You only use that for calculating maps (but then, you
probably want to use FBshasol/PHIBshasol).

See also the online documentation (from your SHARP control panle) or
at

  http://www.globalphasing.com/sharp/manual/appendix1.html

Hope that helps

Cheers

Clemens Vonrhein

On Tue, May 11, 2004 at 12:37:54AM -0400, Akanksha Nagpal wrote:
> Dear SHARP users:
>=20
> I have solvent flattened eden.mtz from SHARP and want to use this to run
> refinements in CNS. I am not sure which phases to use in combination with=
 FPsha,
> SIGFPsha while converting mtz to hkl. Is it okay to use centroid phases
> (PHIBsha) or I should use FBsha instead of FPsha in combination with PHIB=
sha
> (but then I don't have SIGMA values corresponding to FBsha).=20
> Also, I am not sure what PHIHsha are for.
>=20
> Any help is greatly appreciated.
>=20
> Regards,
> Akanksha
>=20
>=20
>=20
>=20
> _______________________________________________
> sharp-discuss mailing list
> sharp-discuss@globalphasing.com
> http://www.globalphasing.com/mailman/listinfo/sharp-discuss

--=20

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