Eric,
I’ve not used SMARTS before, so I tried your commands below:
> rings6 = {*}.find("SMARTS","c1ccccc1", true)
select rings6
and
> ringsh = {*}.find("SMARTS","c1cncn1", true)
select ringsh
Running the Jmol application, v. 14.8.0, and loading tryptophan via “load
$tryptophan”, your selections do, indeed, identify tryptophan rings.
Not much help, but it seems to work in the app.
Matt
> On Jun 29, 2017, at 1:28 PM, Eric Martz <ema...@microbio.umass.edu> wrote:
>
> This selects the aromatic ring carbons of Phe and Tyr:
>
> rings6 = {*}.find("SMARTS","c1ccccc1", true)
>
> It does not select the 6-atom ring of Trp.
>
> This selects the ring of His:
>
> ringsh = {*}.find("SMARTS","c1cncn1", true)
>
> How do I select the 5 and 6 atom rings of Trp?
>
> Thanks, Eric
>
>
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