Hi!

Nice to see it finally coming. Before release it would be good
to check that we are not breaking ABI. There were some such
commits in trunk.

I'm looking into improving kekulization trough graph theory as
discussed previously, but I'm yet to understand how exactly
maximum matching or flow algorithms really work (have some papers
and slowly working trough them). This is of no concern for this
particular release tough.

There was raised an issue about aromaticity detection problems
in charged heterocycles (e.g. pyridinium). There were also some
commits in the summer by ptosco for oxonium ions which were
later reverted and worked around in mol2format(?). It would be
good to solve this issue if possible, but I haven't looked at it
closely.


Reinis

------------------------------------------------------------------------------
Don't let slow site performance ruin your business. Deploy New Relic APM
Deploy New Relic app performance management and know exactly
what is happening inside your Ruby, Python, PHP, Java, and .NET app
Try New Relic at no cost today and get our sweet Data Nerd shirt too!
http://p.sf.net/sfu/newrelic-dev2dev
_______________________________________________
OpenBabel-Devel mailing list
OpenBabel-Devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-devel

Reply via email to