Cheers Bob. I have been trying Jmol 14.6 this morning and the SMILES and
SMARTS functionality is working perfectly - many thanks for ironing out the
SMARTS problem.
Mike
Dr Mike Casey
School of Chemistry
UCD
Dublin
01 716 2420
On 18 May 2016 at 13:10, Robert Hanson <[email protected]> wrote:
> I should point out that you need Jmol 14.6 to do these tests.
>
> On Wed, May 18, 2016 at 3:59 AM, Mike Casey <[email protected]> wrote:
>
>> Thanks Bob.
>>
>> Mike
>>
>>
>>
>> Dr Mike Casey
>> School of Chemistry
>> UCD
>> Dublin
>> 01 716 2420
>>
>> On 18 May 2016 at 05:13, Robert Hanson <[email protected]> wrote:
>>
>>> forgot one:
>>>
>>> On Tue, May 17, 2016 at 11:01 PM, Robert Hanson <[email protected]>
>>> wrote:
>>>
>>>> The way you would do this is to check the structure using different
>>>> SMARTS codes with different "directives".
>>>>
>>>>
>>>>> 2.b. & 3. Criterion 3: Does the structure contain a ring(set) that
>>>>> meets Criterion 2, and is planar?
>>>>>
>>>>
>>>>
>>> if ({*}.search("/aromaticPlanar/a") {...} // a flat ring, almost
>>> certainly planar.
>>>
>>>
>>>>
>>>
>>>
>>> --
>>> Robert M. Hanson
>>> Larson-Anderson Professor of Chemistry
>>> Chair, Department of Chemistry
>>> St. Olaf College
>>> Northfield, MN
>>> http://www.stolaf.edu/people/hansonr
>>>
>>>
>>> If nature does not answer first what we want,
>>> it is better to take what answer we get.
>>>
>>> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>>>
>>>
>>>
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>>
>>
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>> bring their own devices (BYOD) to work are irked by the imposition of MDM
>> restrictions. Mobile Device Manager Plus allows you to control only the
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>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor of Chemistry
> Chair, Department of Chemistry
> St. Olaf College
> Northfield, MN
> http://www.stolaf.edu/people/hansonr
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
>
> ------------------------------------------------------------------------------
> Mobile security can be enabling, not merely restricting. Employees who
> bring their own devices (BYOD) to work are irked by the imposition of MDM
> restrictions. Mobile Device Manager Plus allows you to control only the
> apps on BYO-devices by containerizing them, leaving personal data
> untouched!
> https://ad.doubleclick.net/ddm/clk/304595813;131938128;j
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
------------------------------------------------------------------------------
Mobile security can be enabling, not merely restricting. Employees who
bring their own devices (BYOD) to work are irked by the imposition of MDM
restrictions. Mobile Device Manager Plus allows you to control only the
apps on BYO-devices by containerizing them, leaving personal data untouched!
https://ad.doubleclick.net/ddm/clk/304595813;131938128;j
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