You could also try the original WASP here (also for coloured Indo-dutch
catholics): http://xray.bmc.uu.se/cgi-bin/gerard/rama_server.pl or you can use
the latest WHAT_CHECK that also has an implementation of Nayal and Di Cera's
algorithm.
Cheers,
Robbie
> Date: Mon, 20 Dec 2010 22:59:53 +0000
> From: paul.ems...@bioch.ox.ac.uk
> Subject: Re: [ccp4bb] Mg2+ or water
> To: CCP4BB@JISCMAIL.AC.UK
>
> 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.
