On Dec 3, 2010, at 6:13 PM, Noel O'Boyle wrote:
> Could it be easier?
>
> dist = []
> for atom in mol:
> for atom_b in mol:
> dist.append(my_dist(atom.coords, atom_b.coords))
> print max(dist)
Sure can:
print max(my_dist(atom_a.coords, atom_b.coords) for atom_a in mol for atom_b
in mol)
That is, if by "easier" you mean "shorter."
Andrew
[email protected]
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