On 11/14/2015 04:36 PM, Artem Evdokimov wrote:
>
> I would agree with both sides, since absence of evidence is not
> evidence of ansence.
>
Well, that's agnostic :)
Just a comment - omitting side chain atoms from the model does not
assert that they are somehow missing from the chemical structure one is
modeling. It means that their spatial distribution cannot be adequately
approximated from experimental data via simple 3D gaussian. So when I
am excluding atoms from disordered side chains, I am not saying that an
X-ray fairy has cut off covalent bonds with a tiny magic chainsaw. I am
just saying I don't have sufficient experimental evidence to locate
these atoms.
Cheers,
Ed
|