Re: [Rdkit-discuss] unreadable SD File

2012-04-09 Thread Greg Landrum
On Wed, Apr 4, 2012 at 11:32 AM, Greg Landrum greg.land...@gmail.com wrote: Dear Jean-Marc, On Tue, Apr 3, 2012 at 10:41 PM, JEAN-MARC NUZILLARD jm.nuzill...@univ-reims.fr wrote: I have generated 265 isomers of zadirachtin, a natural product. When I tried to use RDKit for the creation of 2D

Re: [Rdkit-discuss] unreadable SD File

2012-04-04 Thread Greg Landrum
Dear Jean-Marc, On Tue, Apr 3, 2012 at 10:41 PM, JEAN-MARC NUZILLARD jm.nuzill...@univ-reims.fr wrote: I have generated 265 isomers of zadirachtin, a natural product. When I tried to use RDKit for the creation of 2D depictions, one of the structures failed to be read. The corresponding SD

[Rdkit-discuss] unreadable SD File

2012-04-03 Thread JEAN-MARC NUZILLARD
Dear Greg, I have generated 265 isomers of zadirachtin, a natural product. When I tried to use RDKit for the creation of 2D depictions, one of the structures failed to be read. The corresponding SD file with the only problematic structure is attached. I generated a depiction by myself that is