Peter Murray-Rust wrote: > SMILES is effectively an open standard. CanonicalSMILES (which I think > is the problem) is not.
Several people have encourage me to write a paper of some sort describing the algorithm we use in OpenBabel, and I hope to do it soon. The problem is that there are some corner cases (aka bugs) regarding stereochemistry that we haven't resolved yet which may cause significant algorithm changes, so writing it up now might be premature. Not to mention the persistent demands of job and family! Noel and Geoff have offered encouragement and help, and Tim has been a great contributor to the stereochemistry problem. Craig ------------------------------------------------------------------------------ Return on Information: Google Enterprise Search pays you back Get the facts. http://p.sf.net/sfu/google-dev2dev _______________________________________________ Blueobelisk-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
