[Dock-fans] Radius of spheres in 'generating spheres'

Scott Brozell sbrozell at scripps.edu
Thu Oct 30 12:34:46 PDT 2008


Hi,

On Wed, 29 Oct 2008, Donna wrote:

> I am generating my spheres manually from the coordinates I already have and would like to know what the default setting should be for the radius of spheres? e.g. I was thinking would 3 be a reasonable default?
> 

Reiterating
http://blur.compbio.ucsf.edu/pipermail/dock-fans/2008-October/001755.html
I don't see ANY use of the sphere radii.
So try various ones and please send us a report.

> or,
> 
> Is there a recommended radius for spheres representing donors, acceptors, hydrophobic, donor/acceptor, polar etc when using chemical matching?
> 

I do not know.  The arts of some forms of DOCKing have been lost,
hopefully only temporarily.

Scott



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