Dear All,
I have a large number of output files from SMOG, an old DOS-based program that
I downloaded ages ago. I would like to access the connection tables saved in
the files for all the isomers enumerated and I'm wondering whether I can use
CDK to do this. Alternatively, maybe it's easier to re-run the enumeration
process using something a little more modern.
Many thanks for any advice,
Anthony Lewis
C. Anthony Lewis
Petroleum & Environmental Geochemistry Group & Centre for Chemical Sciences,
School of Geography, Earth and Environmental Sciences,
University of Plymouth,
Plymouth, Devon PL4 8AA, U.K.
tel: +44 (0)1752 584554
email: [email protected]<mailto:[email protected]>
web: http://www.pegg.org.uk<http://www.pegg.org.uk/>
http://www.plymouth.ac.uk/chemistry
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