[Rdkit-discuss] Fedora RPMs for rdkit 2010.12

2011-01-09 Thread gia...@gmail.com
Hi all, I built rdkit 2010.12 beta3 binaries for Fedora 13 and 14 (64bit) and uploaded them on my fedorapeople space: http://giallu.fedorapeople.org/rdkit The old patches I added to build 2010.09 were folded into the current release (thanks Greg!), however, I'm still doing some changes I'd like to

Re: [Rdkit-discuss] can't kekulize smiles generated by Chem.MolToSmiles

2011-01-09 Thread Greg Landrum
Hi TJ, On Mon, Jan 10, 2011 at 2:37 AM, TJ O'Donnell wrote: > Thanks Greg.  I compiled in the changes and that molfile works fine > now, but. > Here are four new examples of molfiles that convert to mol and smiles just > fine, but the resulting smiles won't parse properly back to a mol. > > C