[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

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 t...@acm.org 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