It is Arp waters which doesnt support these space groups I believe..
REFMAC5 seems to accept everything..
And Arp-waters is pretty out of date - cot probably does a better job
in positioned fully occupied waters.
Eleanor
David J. Schuller wrote:
For the latter, P21221, you could reindex to get P21212, which is
supported.
-
=======================================================================
You can't possibly be a scientist if you mind people
thinking that you're a fool. - Wonko the Sane
=======================================================================
David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu
On Mon, 2009-08-17 at 17:37 +0100, Arefeh Seyedarabi wrote:
Hi,
I have a question; recently I have encountered a few space groups which are
not supported by Refmac5. Examples include I2 and P21221. Both these space
groups have been identified as the best solutions for the two different
datasets I am working on using Pointless. However, I am faced with
difficulties in Refmac5, and the program fails to complete when I select
refinement cycles with Arp-waters...with the message saying 'space group not
supported'.
Any suggestions on how this problem could be overcome?
Regards,
Arefeh
Arefeh Seyedarabi, PhD
Postdoctoral research assistant
School of Biological and Chemical sciences
Queen Mary, University of London
Mile End road
London
E1 4NS
Based at Joseph Priestley Building G.35
020 78828480
