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: calewis@plymouth.ac.uk

web: http://www.pegg.org.uk

http://www.plymouth.ac.uk/chemistry