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
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$
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
3 matches
Mail list logo