Oh, there's a patch for this bug? On Wed, Oct 5, 2011 at 12:05 AM, Egon Willighagen <[email protected]> wrote: > On Wed, Oct 5, 2011 at 2:40 AM, Rajarshi Guha <[email protected]> wrote: >> On a somewhat related note, why does the atom type set aromaticity. >> Shouldn't this be done via the perception class? > > Is this the same problem with AtomTypeManipulator.configure() ? > > In the SMILES parser the new patches make sure to cache and restore > the aromaticity flag after calling this configure() method, because it > overwrites that flag... > > Egon > > > -- > Dr E.L. Willighagen > Postdoctoral Researcher > Institutet för miljömedicin > Karolinska Institutet (http://ki.se/imm) > Homepage: http://egonw.github.com/ > LinkedIn: http://se.linkedin.com/in/egonw > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers >
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