Help: Python for Molecules/Ring Structures?

[Brian Kelley]

Mitch Chapman wrote:
> gyro wrote:
> 
>> entropy123 wrote:
>>
>>
>> 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/

As the implementer of frowns, I'll give my two cents and say that 
OEChem/OElib is fantastic.  Blazingly fast, a good python interface and 
free for academic institutions.  Certainly best-in-class for protein 
structure PDB work.

frowns is much slower but comes with source code and runs everywhere 
python does (even on my pda :) )
> 
> -- 
> Mitch
> 
Brian Kelley
Whitehead Institute for Biomedical Research