[sharp-discuss] solomon error

[Clemens Vonrhein]

Aaahhh ... one of my favourites: asymmetric unit conventions! One
important bit: are you running the latest version of Sushi (3.0.9) and
CCP4 (4.2.1)? And what does the header of you solo_XX.Xpc.log.html
file say about asymmetric units (if anything at all).

The point is, that finding the asymmetric units that various programs
are writing and/or expecting is a bit tricky - and it's possible that
there is a problem for your particular spacegroup.

Instead of changing the code in solomon.sh you can also edit
$BDG_home/database/lists/symm.dat, search for a line starting with
P6322 and change fields 6, 8 and 10 (delimited by a colon ":") to
"0. 1. 0. 1. 0. 1.". This will tell all SHARP/autoSHARP programs to
use the whole unit cell as 'asymmetric unit'.

For the next SHARP/autoSHARP release I revisited this list of
spacegroup specific definitions - hopefully it will be completely
up-to-date for the latest CCP4 4.2.1 (and above) release.

Hope that helps.

Cheers

Clemens

PS: could you please subscribe to sharp-discuss mailing list before
posting there?

On Wed, Sep 04, 2002 at 09:30:05PM +0900, ±è°æÇö wrote:
> I have problems during solomon, with a message " Fatal disagreement between input info and map header". It seems the map generated by fft or mapmask is limited to asu and sfall complains about it (Spg P6322).
> 
> I checked solomon.sh where FFTxyzlim is assigned with asuxyzlim. Changing te asuxyzlim to cellxyzlim did not give me an error. I wonder whether this is correct.  Thanks.
> 
> K.H.

-- 

***************************************************************
* Clemens Vonrhein, Ph.D.          vonrhein@GlobalPhasing.com
*
*  Global Phasing Ltd.
*  Sheraton House, Castle Park     Tel: +44-(0)1223-353033
*  Cambridge CB3 0AX, UK           Fax: +44-(0)1223-366889
*--------------------------------------------------------------
* BUSTER Development Group      (http://www.globalphasing.com)
***************************************************************