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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