[Dock-fans] Generating spheres manually

[Donna]

Hello,

I am attempting to generate my spheres manually, since I know the coordinates of the features I want to include.
I am not sure what is meant by 'the number of the second atom with which the surface point is associated' (244 shown in bold below)? Could anyone please explain to me where this number comes from.

e.g. 

85  1.09742  22.78395  21.72392  2.000  244  0  0

And is there a way to label a sphere as both a donor or acceptor?

I hope someone can help.

Donna




      
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