Help: Python for Molecules/Ring Structures?

Mitch Chapman Mitch.Chapman at bioreason.com
Wed May 28 10:21:30 EDT 2003


gyro wrote:
> entropy123 wrote:
> 
>> Hey all,
>>
>> I'm looking for a language/module which will make it relatively easy
>> for me to identify ring structures in molecules. I've come across some
>> information which claims python has modules ready made for this type
>> of thing.
 > [...]
> 
> 
> You might take a look at http://frowns.sourceforge.net/.


If you have a Daylight license you could also check out
Andrew Dalke's PyDaylight wrapper:
	http://www.dalkescientific.com/PyDaylight/

Open Eye's OEChem/OELib could also be useful:
	http://www.eyesopen.com/oechem/

--
Mitch





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