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Re: [ccp4bb]: crystal and AU packing analysis
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Doesn't areaimol (ccp4) do lots of what you want?
> I wonder what alternatives there are when one wants to analyze crystal
> packing surfaces (and surfaces within the AU).
> I would like to know the total area of a molecule, the area involved in
> packing to other molecules (in the AU and with symmetry related ones),
> solvent content et c.
> In CNS I could do this but it was very time consuming because I had to
> generate a pdb containing my AU and all symmetry related neighbouring
> molecules and analyze the possible packings one by one.
> Do you have any suggestions ?
> Oh, since I'm already bothering you, what program should I use to
> analyze NCS related waters ?
> Best wishes,
> Stefan Backstrom
> Umea University
> s-901 87 Umea
> email: email@example.com
> tel: +46 907856794
> fax: +46 90778007