Changeset [3a7de98c7e3ee0c0510aaf3581359fa9804e88ea] by Mark Rynbeek
October 26th, 2010 @ 03:08 PM
SMILES: fix for cases like C=1CCCCC=1; the default bond order
for the ring closure is single (or aromatic) but may be specified
by including a bond symbol between the atom and the closure
number.
http://github.com/kemia/kemia/commit/3a7de98c7e3ee0c0510aaf3581359f...
Committed by Mark Rynbeek
- M kemia/io/smiles/smiles_parser.js
- M kemia/layout/layout_demo.html
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Javascript Reaction Editor and Cheminformatics Library