[sharp-discuss] What is the problem with my processing in "Extracting additional information"?

[Clemens Vonrhein]

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Dear Zhiyong,

this is a known problem (fixed for the next release). Please have a
look at

  http://www.globalphasing.com/sharp/news.html

and apply the supplied patch. Also, you might want to kill the job
that is still running (since it will loop forever).

Sorry about that inconvenience.

Cheers

Clemens

PS: please subscribe to sharp-discuss before sending messages.

On Tue, May 06, 2003 at 07:25:05PM +0800, lou zhiyong wrote:
> Dear Sir/Madam,
> I am doing some work with SHARP. But when this step, which is "1.3 Extrac=
ting additional information" started, it didn`t go on.
>=20
>  And the details of this step is as follows:
> .................
>=20
> 4. Matthews Coefficient
> (explanation)=20
>=20
>  NOTE    : volume of unit cell for reference data set =3D 2791233
>            ?3
>=20
>=20
>  NOTE    : we will only look at Matthews Parameters in the range 1.45 - 6=
.15.
>            This corresponds to a range of solvent content from 15.2 to 80=
.0 %.
>=20
>       # of molecules/asu Vm solvent content=20
>       1 3.663 0.664=20
>       2 1.831 0.328=20
>=20
>=20
>  NOTE    : with a molecular weight of 95256 Da and 1 molecule the solvent
>            content would be ~ 0.664 - this doesn't take ordered waters in=
to
>            account (and might therefore differ from the value reported ab=
ove).
>=20
>=20
>  NOTE    : updating number of residues (945) and molecular weight (95256 =
Da)
>=20
>=20
>  NOTE    : we're going to re-calculate Wilson based scale and temperature
>            factor, since our estimate of the number of molecules in the
>            asymmetric unit has changed
>=20
>=20
> And I have restarted this work three times. Could you tell me how to deal=
 with this problem?
> Thank you very much!
>=20
> Best Regards,
> Zhiyong Lou

--=20

***************************************************************
* Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
*
*  Global Phasing Ltd.
*  Sheraton House, Castle Park     Tel: +44-(0)1223-353033
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