SMILES

From Open Babel
Revision as of 07:06, 22 February 2007 by Darked (Talk | contribs) (link fix)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search
Filename Extensions smi
Chemical MIME Type chemical/x-daylight-smiles
Specification URL http://www.daylight.com/smiles/
Import Yes
Export Yes
Open Babel Version All

Options

             A linear text format which can describe the connectivity and chirality of a molecule
             Write Options e.g. -xt
             -n no molecule name
             -t molecule name only
             -r radicals lower case eg ethyl is Cc

Additional Comments

Open Babel supports an extension to Daylight SMILES for radicals.