On 20/12/10 21:48, Robbie Joosten wrote:
>
>
> Also note that Mg2+ is significantly smaller than water. It fits in
> places where water cannot go. This doesn't look like a magnesium site
> on first glance.
I tend to agree with Robbie. I wonder what WASP would say... (if you
use Coot, you can try the "Highly Coordinated Waters" validation test -
a symmetry-enhanced implementation of the Nayal & Di Cera (1996) algorithm).
Paul.
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