Re: [Rdkit-discuss] generate atom names?

2012-04-10 Thread Greg Landrum
Dear Paul, On Tue, Apr 10, 2012 at 11:07 AM, Paul Emsley paul.ems...@bioch.ox.ac.uk wrote: (Just making sure I have not missed anything...) Is there a function that generates unique atom names (using at-setProp(name, name) presumably) for a given molecule? (I don't see such a thing). There

Re: [Rdkit-discuss] boost confused

2012-04-10 Thread Riccardo Vianello
Hi Paul, I think you might need to set the LD_LIBRARY_PATH to include the location of your system-wide boost 1.46 installation on pc Y too, since it's used at runtime to locate the shared libraries that were linked at build-time. HTH, Riccardo

Re: [Rdkit-discuss] boost confused

2012-04-10 Thread Greg Landrum
Dear Paul, On Tue, Apr 10, 2012 at 5:55 PM, paul.czodrow...@merckgroup.com wrote: when building RDKit according to the instructions for Linux (http://code.google.com/p/rdkit/wiki/BuildingWithCmake), I'm running into one problem related to boost: On pc X (32 bit OpenSuse), the build works