So not clear what you mean by that.
Let's say I have this as a query structure: [H]NC1=CC=CC=C1
I've explicitly added one hydrogen to the amine to ensure I don't get
tertiary amines when doing a SSS.
When displayed I see the explicit and the implicit hydrogens (but
represented differently),
You can't exactly replicate that because I really think the 'none' hydrogen
display is completely wrong as it changes the valence of atoms. However you
can choose which atoms have their symbol displayed and by definition
hydrogens which allows you to have the 'all', 'heteroterm', and 'hetero'.
On 26/01/2016 14:57, John M wrote:
You can't exactly replicate that because I really think the 'none'
hydrogen display is completely wrong as it changes the valence of atoms.
Not sure what you mean here. This is only for display. The hydrogens are
implicitly there, just not displayed, so no
>
> The hydrogens are implicitly there, just not displayed, so no valences are
> being changed.
Had an interesting debate about this in the office over coffee with no
resolution. Really if you don't show them they are depicting different
structures IMO... '[N]1C=CC=C1' vs 'N1C=CC=C1' but that's
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