Re: [Rdkit-discuss] Error depicting a smiles string

Greg Landrum schrieb: Dear Thomas, I checked in the fix for this problem this morning. Great. Will you make a binary release as well, or should I try to compile it myself? -- Thanks, Thomas --

Re: [Rdkit-discuss] Error depicting a smiles string

Greg Landrum schrieb: Dear Thomas, On Thu, Apr 29, 2010 at 4:05 PM, Thomas Heller thel...@ctypes.org wrote: 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

[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