JP,
It's just a pure data structure for storing information on a 3D grid
and then operating on those grids. The API documentation is here:
http://www.rdkit.org/Python_Docs/rdkit.Geometry.rdGeometry.UniformGrid3D_-class.html
It's pretty easy to map whatever integral values you want onto the
grid,
I just came across the section 3D Grids in the documentation, which is
sadly empty.
Can someone explain what these grids are? Are they the VINA-like atom
type grids?
I might have use for something like that.
Many Thanks
JP
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