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.
