Re: [Rdkit-discuss] Buglets in the last release

Dear Thomas, On Wed, Apr 28, 2010 at 11:51 AM, Thomas Heller thel...@ctypes.org wrote: The Q12010 release contains several assert statements that are always true.   Python26 warns about that: Thanks for pointing this out. I'll fix them. rdkit\Chem\Draw\__init__.py contains an unneeded

Re: [Rdkit-discuss] about building RDKit on VS 2008

Dear Greg, Evgueni, Thank you. I can complete installation of RDKit library on Visual Studio 2008. I really appreciate your kind advices. And.. I have some question about handling a sdf file. std::string fname = ./test.sdf; std::string molName; SDMolSupplier ligMolSuppl(fname); ROMol

[Rdkit-discuss] Error depicting a smiles string

Hi Greg, I get errors when trying to depict this smiles string: OC(=O)[C@@H]1CCCN1 It is from the wikipedia entry for Proline: http://en.wikipedia.org/wiki/Proline As it turns out rdkit is passing 'nan' as coordinates to all the drawing functions ;-( -- Thanks, Thomas