On Monday 17 August 2009 09:37:40 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.
This is not correct. Refmac is perfectly happy with these settings,
although there are some glitches to be careful of when you eventually
get to the point of data deposition. (See earlier thread about
mtz2various mangling the spacegroup description when converting to *.cif).
> 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'.
Ah. Perhaps this is a message from Arp/wArp? I don't know.
But having recently refined several I2 structures in refmac,
I can attest that it works fine in recent versions.
Ethan
--
Ethan A Merritt
Biomolecular Structure Center
University of Washington, Seattle 98195-7742
