Re: [Jmol-users] Selecting molecules

[Nicolas V. <nve...@cl...>]

Hi,

From: "Bob Hanson" <ha...@st...>
> the place to look is
>
> http://www.daylight.com/dayhtml/smiles/

Thanks, I finally managed to find it :)

> SMARTS is mentioned at
>
> http://www.daylight.com/dayhtml/smiles/smiles-relatives.html
>
> The documentation looks pretty rich to me.

For what I understand SMARTS is somewhat a superset of SMILES with the
addition of primitives and boolean operators.

I will begin with SMILES only, and will see in the future if it is worth the
effort to add SMARTS.

Nicolas