Dear BB,
after very quick replies from George Sheldrick and Kay Diederichs we
recompiled shelxh setting JW to 1200 and
IM to 32000 and it worked beautifully. Thank you both very much for
your help, regards, Matt.
--
Matthew Bowler
Structural Biology Group
European Synchrotron Radiatio
wner-ccp...@jiscmail.ac.uk]
On
> Behalf Of George M. Sheldrick
> Sent: 28 May 2009 11:59
> To: Matthew BOWLER
> Cc: CCP4BB@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] shelxl LS refinement problem
>
> Dear Matt,
>
> It is nice to see a message about SHELX on the BB, compared
Dear Matt,
It is nice to see a message about SHELX on the BB, compared with the
frequency of messages about certain other programs I have the
impression that no-one is using SHELX these days!
You should be using the larger version SHELXH, available from the SHELX
server. If that is still too sma
Matthew BOWLER schrieb:
Dear BB,
I have refined a 1.05A structure with shelxl and would now like to
get some values on the coordinate error by doing a least squares full
matrix cycle, unrestrained. I have followed all the procedures that I
can find, but I keep getting the error message **
Dear BB,
I have refined a 1.05A structure with shelxl and would now like to
get some values on the coordinate error by doing a least squares full
matrix cycle, unrestrained. I have followed all the procedures that I
can find, but I keep getting the error message ** ARRAY B TOO SMALL FOR
TH
