[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

[Rdkit-discuss] FW: rdkit - ctest mulitiple failures

2012-04-03 Thread Long, Ryan L
From: Liwei Li [mailto:liwei...@gmail.com] Sent: Tuesday, April 03, 2012 2:18 PM To: Long, Ryan L Subject: Re: [Rdkit-discuss] rdkit - ctest mulitiple failures Hi, Ryan, I ran some test commands and here are the output. Please forward it to the forum if you don't mind. Liwei node1$

Re: [Rdkit-discuss] FW: rdkit - ctest mulitiple failures

2012-04-03 Thread Greg Landrum
Hi Ryan, thanks for passing along the very detailed report. On Tue, Apr 3, 2012 at 11:22 PM, Long, Ryan L ryanl...@iupui.edu wrote: node1$/home/liwei/RDKit_2011_12_1/build$ python -c from rdkit import rdBase Traceback (most recent call last):   File string, line 1, in module